4-amino-3-methoxy-N-(4-methylpentyl)benzamide

C14H22N2O2 — CID 104782675

IUPAC4-amino-3-methoxy-N-(4-methylpentyl)benzamide
SMILESCOc1cc(C(=O)NCCCC(C)C)ccc1N
InChIInChI=1S/C14H22N2O2/c1-10(2)5-4-8-16-14(17)11-6-7-12(15)13(9-11)18-3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyFWVJGXOMVPGBPS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds6

About 4-amino-3-methoxy-N-(4-methylpentyl)benzamide

4-amino-3-methoxy-N-(4-methylpentyl)benzamide (PubChem CID 104782675) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4-methylpentyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4-methylpentyl)benzamide
PubChem CID104782675
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-3-methoxy-N-(4-methylpentyl)benzamide
SMILESCOc1cc(C(=O)NCCCC(C)C)ccc1N
InChIInChI=1S/C14H22N2O2/c1-10(2)5-4-8-16-14(17)11-6-7-12(15)13(9-11)18-3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyFWVJGXOMVPGBPS-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide
CID 82070095
4-amino-N-(4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 63004218
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
CID 93216664
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4-methylpentyl)benzamide?
The IUPAC name of 4-amino-3-methoxy-N-(4-methylpentyl)benzamide (CID 104782675) is 4-amino-3-methoxy-N-(4-methylpentyl)benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(4-methylpentyl)benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-(4-methylpentyl)benzamide is COc1cc(C(=O)NCCCC(C)C)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(4-methylpentyl)benzamide?
The InChIKey is FWVJGXOMVPGBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)5-4-8-16-14(17)11-6-7-12(15)13(9-11)18-3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-3-methoxy-N-(4-methylpentyl)benzamide?
4-amino-3-methoxy-N-(4-methylpentyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.44, 6 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-(4-methylpentyl)benzamide is sourced from PubChem (CID 104782675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).