4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide

C15H22N2O — CID 30117194

IUPAC4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
SMILESCc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1N
InChIInChI=1S/C15H22N2O/c1-10-5-3-4-6-14(10)17-15(18)12-7-8-13(16)11(2)9-12/h7-10,14H,3-6,16H2,1-2H3,(H,17,18)/t10-,14-/m1/s1
InChIKeyKOTMPFBBTGPNJL-QMTHXVAHSA-N
MW246.35 g/mol
LogP2.89
Rot. Bonds2

About 4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide

4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide (PubChem CID 30117194) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
PubChem CID30117194
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
SMILESCc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1N
InChIInChI=1S/C15H22N2O/c1-10-5-3-4-6-14(10)17-15(18)12-7-8-13(16)11(2)9-12/h7-10,14H,3-6,16H2,1-2H3,(H,17,18)/t10-,14-/m1/s1
InChIKeyKOTMPFBBTGPNJL-QMTHXVAHSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
CID 43699383
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43712748
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 46799090
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
3,5-diamino-N-(2-methylcyclohexyl)benzamide
CID 61090027
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The IUPAC name of 4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide (CID 30117194) is 4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide is Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The InChIKey is KOTMPFBBTGPNJL-QMTHXVAHSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-5-3-4-6-14(10)17-15(18)12-7-8-13(16)11(2)9-12/h7-10,14H,3-6,16H2,1-2H3,(H,17,18)/t10-,14-/m1/s1.
What are the key properties of 4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 30117194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).