3-amino-N-benzyl-4-methylbenzamide

C15H16N2O — CID 12607982

IUPAC3-amino-N-benzyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1N
InChIInChI=1S/C15H16N2O/c1-11-7-8-13(9-14(11)16)15(18)17-10-12-5-3-2-4-6-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyDFPQSXUFHNSJHD-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.51
Rot. Bonds3

About 3-amino-N-benzyl-4-methylbenzamide

3-amino-N-benzyl-4-methylbenzamide (PubChem CID 12607982) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-amino-N-benzyl-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-benzyl-4-methylbenzamide
PubChem CID12607982
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-amino-N-benzyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1N
InChIInChI=1S/C15H16N2O/c1-11-7-8-13(9-14(11)16)15(18)17-10-12-5-3-2-4-6-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyDFPQSXUFHNSJHD-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.51
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

3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 60987768
4-amino-N-benzyl-2-methylquinoline-6-carboxamide
CID 15133405
3-(3-aminoprop-1-ynyl)-N-benzyl-4-methylbenzamide
CID 81458811
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
N-benzyl-3-(3,4-diamino-5-methylphenyl)benzamide
CID 168873200
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
3,5-diamino-N-benzyl-4-[(E)-but-2-en-2-yl]benzamide
CID 163491038
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-4-methylbenzamide?
The IUPAC name of 3-amino-N-benzyl-4-methylbenzamide (CID 12607982) is 3-amino-N-benzyl-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-benzyl-4-methylbenzamide?
The canonical SMILES for 3-amino-N-benzyl-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccccc2)cc1N.
What is the InChIKey of 3-amino-N-benzyl-4-methylbenzamide?
The InChIKey is DFPQSXUFHNSJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-7-8-13(9-14(11)16)15(18)17-10-12-5-3-2-4-6-12/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-benzyl-4-methylbenzamide?
3-amino-N-benzyl-4-methylbenzamide has a molecular weight of 240.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-4-methylbenzamide is sourced from PubChem (CID 12607982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).