4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide

C15H22N2O2 — CID 82070566

IUPAC4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
SMILESCOc1cc(C(=O)NC2CCCCC2C)ccc1N
InChIInChI=1S/C15H22N2O2/c1-10-5-3-4-6-13(10)17-15(18)11-7-8-12(16)14(9-11)19-2/h7-10,13H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyBCMXMLDHEVPYGS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.59
Rot. Bonds3

About 4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide

4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide (PubChem CID 82070566) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
PubChem CID82070566
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
SMILESCOc1cc(C(=O)NC2CCCCC2C)ccc1N
InChIInChI=1S/C15H22N2O2/c1-10-5-3-4-6-13(10)17-15(18)11-7-8-12(16)14(9-11)19-2/h7-10,13H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyBCMXMLDHEVPYGS-UHFFFAOYSA-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-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491
3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
CID 82070304
3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
CID 82070419
3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide
CID 82070335
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide (CID 82070566) is 4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide is COc1cc(C(=O)NC2CCCCC2C)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide?
The InChIKey is BCMXMLDHEVPYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-5-3-4-6-13(10)17-15(18)11-7-8-12(16)14(9-11)19-2/h7-10,13H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide?
4-amino-3-methoxy-N-(2-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 4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 82070566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).