3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide

C15H22N2O2 — CID 28690073

IUPAC3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1N
InChIInChI=1S/C15H22N2O2/c1-10-4-3-5-12(8-10)17-15(18)11-6-7-14(19-2)13(16)9-11/h6-7,9-10,12H,3-5,8,16H2,1-2H3,(H,17,18)/t10-,12+/m0/s1
InChIKeyJCVFUDFIFFBDHP-CMPLNLGQSA-N
MW262.35 g/mol
LogP2.59
Rot. Bonds3

About 3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide

3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide (PubChem CID 28690073) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
PubChem CID28690073
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1N
InChIInChI=1S/C15H22N2O2/c1-10-4-3-5-12(8-10)17-15(18)11-6-7-14(19-2)13(16)9-11/h6-7,9-10,12H,3-5,8,16H2,1-2H3,(H,17,18)/t10-,12+/m0/s1
InChIKeyJCVFUDFIFFBDHP-CMPLNLGQSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide
CID 43912271
2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28689875
3-amino-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62088894
3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide
CID 171933111
2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 55042070
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
3-amino-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55246056
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide?
The IUPAC name of 3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide (CID 28690073) is 3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide is COc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide?
The InChIKey is JCVFUDFIFFBDHP-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-3-5-12(8-10)17-15(18)11-6-7-14(19-2)13(16)9-11/h6-7,9-10,12H,3-5,8,16H2,1-2H3,(H,17,18)/t10-,12+/m0/s1.
What are the key properties of 3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide?
3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 28690073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).