3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide

C16H24N2O2 — CID 78985060

IUPAC3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide
SMILESCOc1cc(N)cc(C(=O)N(C)C2CCC(C)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-11-4-6-14(7-5-11)18(2)16(19)12-8-13(17)10-15(9-12)20-3/h8-11,14H,4-7,17H2,1-3H3
InChIKeyJWTIKFHNUMGWQO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds3

About 3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide

3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide (PubChem CID 78985060) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide
PubChem CID78985060
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide
SMILESCOc1cc(N)cc(C(=O)N(C)C2CCC(C)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-11-4-6-14(7-5-11)18(2)16(19)12-8-13(17)10-15(9-12)20-3/h8-11,14H,4-7,17H2,1-3H3
InChIKeyJWTIKFHNUMGWQO-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide (CID 78985060) is 3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide is COc1cc(N)cc(C(=O)N(C)C2CCC(C)CC2)c1.
What is the InChIKey of 3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide?
The InChIKey is JWTIKFHNUMGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-4-6-14(7-5-11)18(2)16(19)12-8-13(17)10-15(9-12)20-3/h8-11,14H,4-7,17H2,1-3H3.
What are the key properties of 3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide?
3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 78985060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).