trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C19H24N2O3 — CID 67477201

IUPACtrans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CC[C@@H](C)C[C@H]1C(=O)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C19H24N2O3/c1-10(2)12-8-7-11(3)9-14(12)18(23)20-15-6-4-5-13-16(15)19(24)21-17(13)22/h4-6,10-12,14H,7-9H2,1-3H3,(H,20,23)(H,21,22,24)/t11-,12?,14-/m1/s1
InChIKeyLSWKGGQQAZTSTK-YXHCSQSYSA-N
MW328.41 g/mol
LogP3.22
Rot. Bonds3

About trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 67477201) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID67477201
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametrans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CC[C@@H](C)C[C@H]1C(=O)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C19H24N2O3/c1-10(2)12-8-7-11(3)9-14(12)18(23)20-15-6-4-5-13-16(15)19(24)21-17(13)22/h4-6,10-12,14H,7-9H2,1-3H3,(H,20,23)(H,21,22,24)/t11-,12?,14-/m1/s1
InChIKeyLSWKGGQQAZTSTK-YXHCSQSYSA-N
XLogP3.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]benzoate
CID 69229253
N-[2-(2-cyano-5-methyl-2-propan-2-ylcyclohexyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 69405095
N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079948
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
(1R,2S,5R)-N-(2-chloro-4-cyanophenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 67477166
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
CID 175475904
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 67477177
5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 59861681
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
(1R,2S,5R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992313
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695

Frequently Asked Questions

What is the IUPAC name of trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 67477201) is trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CC[C@@H](C)C[C@H]1C(=O)Nc1cccc2c1C(=O)NC2=O.
What is the InChIKey of trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is LSWKGGQQAZTSTK-YXHCSQSYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-10(2)12-8-7-11(3)9-14(12)18(23)20-15-6-4-5-13-16(15)19(24)21-17(13)22/h4-6,10-12,14H,7-9H2,1-3H3,(H,20,23)(H,21,22,24)/t11-,12?,14-/m1/s1.
What are the key properties of trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 67477201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).