1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide

C16H23BrN2O2 — CID 64551670

IUPAC1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C16H23BrN2O2/c1-10-5-4-6-16(18,9-10)15(20)19-14-11(2)7-12(17)8-13(14)21-3/h7-8,10H,4-6,9,18H2,1-3H3,(H,19,20)
InChIKeyXDMQINMPHCPBBE-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.61
Rot. Bonds3

About 1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64551670) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64551670
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C16H23BrN2O2/c1-10-5-4-6-16(18,9-10)15(20)19-14-11(2)7-12(17)8-13(14)21-3/h7-8,10H,4-6,9,18H2,1-3H3,(H,19,20)
InChIKeyXDMQINMPHCPBBE-UHFFFAOYSA-N
XLogP3.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide
CID 115294122
1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550233
1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 103585988
N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63122221
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide
CID 81172402
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide
CID 66009992
1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122077474
1-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 103808128

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide (CID 64551670) is 1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide is COc1cc(Br)cc(C)c1NC(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is XDMQINMPHCPBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-10-5-4-6-16(18,9-10)15(20)19-14-11(2)7-12(17)8-13(14)21-3/h7-8,10H,4-6,9,18H2,1-3H3,(H,19,20).
What are the key properties of 1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64551670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).