2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide

C17H20N2O — CID 60933669

IUPAC2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
SMILESCc1ccccc1CC(C)NC(=O)c1ccccc1N
InChIInChI=1S/C17H20N2O/c1-12-7-3-4-8-14(12)11-13(2)19-17(20)15-9-5-6-10-16(15)18/h3-10,13H,11,18H2,1-2H3,(H,19,20)
InChIKeyNPMXCJBHNXAIBV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide

2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide (PubChem CID 60933669) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
PubChem CID60933669
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
SMILESCc1ccccc1CC(C)NC(=O)c1ccccc1N
InChIInChI=1S/C17H20N2O/c1-12-7-3-4-8-14(12)11-13(2)19-17(20)15-9-5-6-10-16(15)18/h3-10,13H,11,18H2,1-2H3,(H,19,20)
InChIKeyNPMXCJBHNXAIBV-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122
2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104126
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 55178986
4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
CID 65355631
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318
4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
CID 80536486
2-bromo-3-methyl-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 54867370
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82946038
2-bromo-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 62854671

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The IUPAC name of 2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide (CID 60933669) is 2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide.
What is the SMILES notation for 2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The canonical SMILES for 2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide is Cc1ccccc1CC(C)NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The InChIKey is NPMXCJBHNXAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-7-3-4-8-14(12)11-13(2)19-17(20)15-9-5-6-10-16(15)18/h3-10,13H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 60933669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).