N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide

C18H28N2O — CID 95151166

IUPACN-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C1CCC(n2cccc2)CC1
InChIInChI=1S/C18H28N2O/c1-14-6-2-3-7-17(14)19-18(21)15-8-10-16(11-9-15)20-12-4-5-13-20/h4-5,12-17H,2-3,6-11H2,1H3,(H,19,21)/t14-,15?,16?,17+/m1/s1
InChIKeyFULGOSZGUVVWIU-VXLLPVPCSA-N
MW288.43 g/mol
LogP3.91
Rot. Bonds3

About N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide

N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide (PubChem CID 95151166) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide
PubChem CID95151166
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C1CCC(n2cccc2)CC1
InChIInChI=1S/C18H28N2O/c1-14-6-2-3-7-17(14)19-18(21)15-8-10-16(11-9-15)20-12-4-5-13-20/h4-5,12-17H,2-3,6-11H2,1H3,(H,19,21)/t14-,15?,16?,17+/m1/s1
InChIKeyFULGOSZGUVVWIU-VXLLPVPCSA-N
XLogP3.91
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(1S,2R)-2-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
CID 100842555
6-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 24707818
1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 40516825
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
1-(4,6-dimethylpyrimidin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 7435402
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
(3R)-N-(2-methylcycloheptyl)piperidine-3-carboxamide
CID 81134931
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
CID 124750324
N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide
CID 24537639

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide (CID 95151166) is N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide is C[C@@H]1CCCC[C@@H]1NC(=O)C1CCC(n2cccc2)CC1.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide?
The InChIKey is FULGOSZGUVVWIU-VXLLPVPCSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-6-2-3-7-17(14)19-18(21)15-8-10-16(11-9-15)20-12-4-5-13-20/h4-5,12-17H,2-3,6-11H2,1H3,(H,19,21)/t14-,15?,16?,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide?
N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-4-pyrrol-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 95151166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).