2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide

C112H162N12O8 — CID 162052344

IUPAC2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide
SMILESCOC1(C)CCC(CN2Cc3cc(C(=O)NCC4CCN(C)CC4)ccc3C2C(C)C)CC1.COC1(C)CCC(CN2Cc3cc(C(=O)NCC4CCN(C)CC4)ccc3[C@@H]2C(C)C)CC1.Cc1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCC(C)(O)CC2)C3C(C)C)cc1.Cc1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCc4nc(C)oc4C2)C3C(C)C)nc1
InChIInChI=1S/C28H34N4O2.2C28H45N3O2.C28H38N2O2/c1-17(2)27-24-9-7-21(28(33)30-14-23-8-5-18(3)13-29-23)12-22(24)16-32(27)15-20-6-10-25-26(11-20)34-19(4)31-25;2*1-20(2)26-25-7-6-23(27(32)29-17-21-10-14-30(4)15-11-21)16-24(25)19-31(26)18-22-8-12-28(3,33-5)13-9-22;1-19(2)26-25-10-9-23(27(31)29-16-21-7-5-20(3)6-8-21)15-24(25)18-30(26)17-22-11-13-28(4,32)14-12-22/h5,7-9,12-13,17,20,27H,6,10-11,14-16H2,1-4H3,(H,30,33);2*6-7,16,20-22,26H,8-15,17-19H2,1-5H3,(H,29,32);5-10,15,19,22,26,32H,11-14,16-18H2,1-4H3,(H,29,31)/t;22?,26-,28?;;/m.0../s1
InChIKeyYYSBGDSJPBVRJY-NDIHGEKYSA-N
MW1804.60 g/mol
LogP20.05
Rot. Bonds26

About 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide

2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide (PubChem CID 162052344) has the molecular formula C112H162N12O8 and a molecular weight of 1804.60 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide
PubChem CID162052344
Molecular FormulaC112H162N12O8
Molecular Weight1804.60 g/mol
Exact Mass1803.26
IUPAC Name2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide
SMILESCOC1(C)CCC(CN2Cc3cc(C(=O)NCC4CCN(C)CC4)ccc3C2C(C)C)CC1.COC1(C)CCC(CN2Cc3cc(C(=O)NCC4CCN(C)CC4)ccc3[C@@H]2C(C)C)CC1.Cc1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCC(C)(O)CC2)C3C(C)C)cc1.Cc1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCc4nc(C)oc4C2)C3C(C)C)nc1
InChIInChI=1S/C28H34N4O2.2C28H45N3O2.C28H38N2O2/c1-17(2)27-24-9-7-21(28(33)30-14-23-8-5-18(3)13-29-23)12-22(24)16-32(27)15-20-6-10-25-26(11-20)34-19(4)31-25;2*1-20(2)26-25-7-6-23(27(32)29-17-21-10-14-30(4)15-11-21)16-24(25)19-31(26)18-22-8-12-28(3,33-5)13-9-22;1-19(2)26-25-10-9-23(27(31)29-16-21-7-5-20(3)6-8-21)15-24(25)18-30(26)17-22-11-13-28(4,32)14-12-22/h5,7-9,12-13,17,20,27H,6,10-11,14-16H2,1-4H3,(H,30,33);2*6-7,16,20-22,26H,8-15,17-19H2,1-5H3,(H,29,32);5-10,15,19,22,26,32H,11-14,16-18H2,1-4H3,(H,29,31)/t;22?,26-,28?;;/m.0../s1
InChIKeyYYSBGDSJPBVRJY-NDIHGEKYSA-N
XLogP20.05
TPSA213.45 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001804.60
LogP ≤ 520.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-azabicyclo[4.1.0]heptan-3-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167702055
N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide
CID 121308176
5-(1-benzyl-2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(2,6-dimethylpiperidin-4-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-ethoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(5-methoxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-[(4-oxocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]-3H-isoindol-1-one;4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexane-1-carbonitrile
CID 165105980

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide (CID 162052344) is 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide is COC1(C)CCC(CN2Cc3cc(C(=O)NCC4CCN(C)CC4)ccc3C2C(C)C)CC1.COC1(C)CCC(CN2Cc3cc(C(=O)NCC4CCN(C)CC4)ccc3[C@@H]2C(C)C)CC1.Cc1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCC(C)(O)CC2)C3C(C)C)cc1.Cc1ccc(CNC(=O)c2ccc3c(c2)CN(CC2CCc4nc(C)oc4C2)C3C(C)C)nc1.
What is the InChIKey of 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is YYSBGDSJPBVRJY-NDIHGEKYSA-N. The full InChI is InChI=1S/C28H34N4O2.2C28H45N3O2.C28H38N2O2/c1-17(2)27-24-9-7-21(28(33)30-14-23-8-5-18(3)13-29-23)12-22(24)16-32(27)15-20-6-10-25-26(11-20)34-19(4)31-25;2*1-20(2)26-25-7-6-23(27(32)29-17-21-10-14-30(4)15-11-21)16-24(25)19-31(26)18-22-8-12-28(3,33-5)13-9-22;1-19(2)26-25-10-9-23(27(31)29-16-21-7-5-20(3)6-8-21)15-24(25)18-30(26)17-22-11-13-28(4,32)14-12-22/h5,7-9,12-13,17,20,27H,6,10-11,14-16H2,1-4H3,(H,30,33);2*6-7,16,20-22,26H,8-15,17-19H2,1-5H3,(H,29,32);5-10,15,19,22,26,32H,11-14,16-18H2,1-4H3,(H,29,31)/t;22?,26-,28?;;/m.0../s1.
What are the key properties of 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide?
2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 1804.60 g/mol, XLogP of 20.05, 26 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-4-methylcyclohexyl)methyl]-N-[(4-methylphenyl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;(1S)-2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;2-[(4-methoxy-4-methylcyclohexyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide;N-[(5-methyl-2-pyridinyl)methyl]-2-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methyl]-1-propan-2-yl-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 162052344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).