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

C18H22N2O — CID 61104122

IUPAC3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
SMILESCc1ccccc1CC(C)NC(=O)c1cccc(N)c1C
InChIInChI=1S/C18H22N2O/c1-12-7-4-5-8-15(12)11-13(2)20-18(21)16-9-6-10-17(19)14(16)3/h4-10,13H,11,19H2,1-3H3,(H,20,21)
InChIKeyDAEBLELRQXUDAD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds4

About 3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide

3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide (PubChem CID 61104122) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
PubChem CID61104122
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
SMILESCc1ccccc1CC(C)NC(=O)c1cccc(N)c1C
InChIInChI=1S/C18H22N2O/c1-12-7-4-5-8-15(12)11-13(2)20-18(21)16-9-6-10-17(19)14(16)3/h4-10,13H,11,19H2,1-3H3,(H,20,21)
InChIKeyDAEBLELRQXUDAD-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
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

2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
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
3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43371726
3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64629768
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
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
CID 65355631
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide
CID 62233452

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide (CID 61104122) is 3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide is Cc1ccccc1CC(C)NC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The InChIKey is DAEBLELRQXUDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-7-4-5-8-15(12)11-13(2)20-18(21)16-9-6-10-17(19)14(16)3/h4-10,13H,11,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 61104122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).