N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine

C102H142FN7O7 — CID 158638735

IUPACN,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(CN)c1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H21NO.2C14H19NO2.C12H17NO.C10H15N.C10H14O.C10H14.C9H13N.C8H10FN/c1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;2*1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-8(9)10-5-7/h6-9,12H,3-5,10-11H2,1-2H3;2*3-6,11H,7-10H2,1-2H3;5-9H,1-4H3;3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3
InChIKeyIACIZPRBBDQQSF-UHFFFAOYSA-N
MW1597.30 g/mol
LogP23.58
Rot. Bonds15

About N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine

N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine (PubChem CID 158638735) has the molecular formula C102H142FN7O7 and a molecular weight of 1597.30 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine
PubChem CID158638735
Molecular FormulaC102H142FN7O7
Molecular Weight1597.30 g/mol
Exact Mass1596.10
IUPAC NameN,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(CN)c1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H21NO.2C14H19NO2.C12H17NO.C10H15N.C10H14O.C10H14.C9H13N.C8H10FN/c1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;2*1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-8(9)10-5-7/h6-9,12H,3-5,10-11H2,1-2H3;2*3-6,11H,7-10H2,1-2H3;5-9H,1-4H3;3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3
InChIKeyIACIZPRBBDQQSF-UHFFFAOYSA-N
XLogP23.58
TPSA160.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001597.30
LogP ≤ 523.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine with MolForge

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Related Compounds

4-(4-cyanophenyl)-N-[4-[4-[1-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]benzamide
CID 44532824
N-[4-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl-propylamino]butyl]-4-pyridin-2-ylbenzamide;hydrochloride
CID 155515907
N-[4-[[(1R,2R)-2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl-propylamino]butyl]-4-pyridin-2-ylbenzamide;hydrochloride
CID 155537516
N-[4-[[(1S,2S)-2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl-propylamino]butyl]-4-pyridin-2-ylbenzamide;hydrochloride
CID 155569198
[4-[2-(4-Methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 127024901
[4-[2-(4-Methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 127024902
[4-[2-(4-Methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]-piperidin-1-ylmethanone
CID 127028983
N-[4-[4-[2,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10189206
2,6-dimethyl-N-[(3S)-3-[4-[(R)-(6-methylpyridin-2-yl)oxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11181187
2,6-Dimethyl-N-(3-{4-[(6-methyl-pyridin-2-yloxy)-(4-trifluoromethyl-phenyl)-methyl]-piperidin-1-yl}-butyl)-4-pyridin-4-yl-benzamide
CID 11215803
2,6-dimethyl-N-[3-[4-[(2-methylphenoxy)-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11239049
2,6-dimethyl-N-[3-[4-[(R)-(6-methyl-2-pyridinyl)oxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11331101

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine?
The IUPAC name of N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine (CID 158638735) is N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine is CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(CN)c1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine?
The InChIKey is IACIZPRBBDQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.2C14H19NO2.C12H17NO.C10H15N.C10H14O.C10H14.C9H13N.C8H10FN/c1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;2*1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-8(9)10-5-7/h6-9,12H,3-5,10-11H2,1-2H3;2*3-6,11H,7-10H2,1-2H3;5-9H,1-4H3;3-6,8H,7,11H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine?
N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine has a molecular weight of 1597.30 g/mol, XLogP of 23.58, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylbenzamide;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;bis(morpholin-4-yl-(4-propan-2-ylphenyl)methanone);piperidin-1-yl-(4-propan-2-ylphenyl)methanone;(3-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 158638735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).