3-amino-N-[2-(3-methylphenyl)ethyl]benzamide

C16H18N2O — CID 62313883

IUPAC3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
SMILESCc1cccc(CCNC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C16H18N2O/c1-12-4-2-5-13(10-12)8-9-18-16(19)14-6-3-7-15(17)11-14/h2-7,10-11H,8-9,17H2,1H3,(H,18,19)
InChIKeyMRRFGAVILOMYBU-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.55
Rot. Bonds4

About 3-amino-N-[2-(3-methylphenyl)ethyl]benzamide

3-amino-N-[2-(3-methylphenyl)ethyl]benzamide (PubChem CID 62313883) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
PubChem CID62313883
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
SMILESCc1cccc(CCNC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C16H18N2O/c1-12-4-2-5-13(10-12)8-9-18-16(19)14-6-3-7-15(17)11-14/h2-7,10-11H,8-9,17H2,1H3,(H,18,19)
InChIKeyMRRFGAVILOMYBU-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.55
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-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
CID 103951860
6-amino-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412
4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
CID 60611411
3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide
CID 62313165
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(3-methylphenyl)ethyl]benzamide (CID 62313883) is 3-amino-N-[2-(3-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(3-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(3-methylphenyl)ethyl]benzamide is Cc1cccc(CCNC(=O)c2cccc(N)c2)c1.
What is the InChIKey of 3-amino-N-[2-(3-methylphenyl)ethyl]benzamide?
The InChIKey is MRRFGAVILOMYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-4-2-5-13(10-12)8-9-18-16(19)14-6-3-7-15(17)11-14/h2-7,10-11H,8-9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(3-methylphenyl)ethyl]benzamide?
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide has a molecular weight of 254.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 62313883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).