(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide

C18H21N3O2 — CID 25354903

IUPAC(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide
SMILESCC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C18H21N3O2/c1-12-7-4-5-10-17(12)21-18(23)13(2)19-15-8-6-9-16(11-15)20-14(3)22/h4-11,13,19H,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyHXAVIRGRLOKOCZ-ZDUSSCGKSA-N
MW311.39 g/mol
LogP3.39
Rot. Bonds5

About (2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide

(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide (PubChem CID 25354903) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide
PubChem CID25354903
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide
SMILESCC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C18H21N3O2/c1-12-7-4-5-10-17(12)21-18(23)13(2)19-15-8-6-9-16(11-15)20-14(3)22/h4-11,13,19H,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyHXAVIRGRLOKOCZ-ZDUSSCGKSA-N
XLogP3.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidoanilino)-N-propan-2-ylpropanamide
CID 43084802
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741
(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide
CID 95173879
2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456
2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 94643771
2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide (CID 25354903) is (2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide is CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C)c1.
What is the InChIKey of (2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is HXAVIRGRLOKOCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-7-4-5-10-17(12)21-18(23)13(2)19-15-8-6-9-16(11-15)20-14(3)22/h4-11,13,19H,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide?
(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 311.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 25354903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).