3-amino-4-methyl-N-(1-phenylpropyl)benzamide

C17H20N2O — CID 62304004

IUPAC3-amino-4-methyl-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(C)c(N)c1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-3-16(13-7-5-4-6-8-13)19-17(20)14-10-9-12(2)15(18)11-14/h4-11,16H,3,18H2,1-2H3,(H,19,20)
InChIKeyNDNZNOPLHKKHEF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds4

About 3-amino-4-methyl-N-(1-phenylpropyl)benzamide

3-amino-4-methyl-N-(1-phenylpropyl)benzamide (PubChem CID 62304004) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(1-phenylpropyl)benzamide
PubChem CID62304004
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-amino-4-methyl-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(C)c(N)c1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-3-16(13-7-5-4-6-8-13)19-17(20)14-10-9-12(2)15(18)11-14/h4-11,16H,3,18H2,1-2H3,(H,19,20)
InChIKeyNDNZNOPLHKKHEF-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.46
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

1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide
CID 134567049
3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
CID 63842494
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755
ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18323152
3-amino-4-[(3,4-difluorophenyl)methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 69084666
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(1-phenylpropyl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(1-phenylpropyl)benzamide (CID 62304004) is 3-amino-4-methyl-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(1-phenylpropyl)benzamide is CCC(NC(=O)c1ccc(C)c(N)c1)c1ccccc1.
What is the InChIKey of 3-amino-4-methyl-N-(1-phenylpropyl)benzamide?
The InChIKey is NDNZNOPLHKKHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-16(13-7-5-4-6-8-13)19-17(20)14-10-9-12(2)15(18)11-14/h4-11,16H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-4-methyl-N-(1-phenylpropyl)benzamide?
3-amino-4-methyl-N-(1-phenylpropyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 62304004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).