2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide

C18H22N2O — CID 62060793

IUPAC2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
SMILESCc1ccc(N)c(C(=O)NC(C)Cc2ccccc2C)c1
InChIInChI=1S/C18H22N2O/c1-12-8-9-17(19)16(10-12)18(21)20-14(3)11-15-7-5-4-6-13(15)2/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeyPZDKCIAEVAEZOM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide

2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide (PubChem CID 62060793) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
PubChem CID62060793
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
SMILESCc1ccc(N)c(C(=O)NC(C)Cc2ccccc2C)c1
InChIInChI=1S/C18H22N2O/c1-12-8-9-17(19)16(10-12)18(21)20-14(3)11-15-7-5-4-6-13(15)2/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeyPZDKCIAEVAEZOM-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
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122
2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide
CID 113375955
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
2-bromo-N-[1-(2-chlorophenyl)propan-2-yl]-5-methylbenzamide
CID 81109561
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821
4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
CID 80536486
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
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The IUPAC name of 2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide (CID 62060793) is 2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The canonical SMILES for 2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide is Cc1ccc(N)c(C(=O)NC(C)Cc2ccccc2C)c1.
What is the InChIKey of 2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The InChIKey is PZDKCIAEVAEZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-8-9-17(19)16(10-12)18(21)20-14(3)11-15-7-5-4-6-13(15)2/h4-10,14H,11,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
2-amino-5-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 2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 62060793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).