N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide

C18H20N2O3 — CID 92664875

IUPACN-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCOc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C18H20N2O3/c1-12-6-4-5-7-16(12)18(22)19-13(2)17(21)20-14-8-10-15(23-3)11-9-14/h4-11,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyGZIHRXRYWROTST-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.76
Rot. Bonds5

About N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide

N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide (PubChem CID 92664875) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
PubChem CID92664875
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCOc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C18H20N2O3/c1-12-6-4-5-7-16(12)18(22)19-13(2)17(21)20-14-8-10-15(23-3)11-9-14/h4-11,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyGZIHRXRYWROTST-ZDUSSCGKSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
CID 55748966
N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55658200
[1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55935157
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
CID 113048288
2-methoxy-N-[1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46745823
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide (CID 92664875) is N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide is COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
The InChIKey is GZIHRXRYWROTST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-6-4-5-7-16(12)18(22)19-13(2)17(21)20-14-8-10-15(23-3)11-9-14/h4-11,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 92664875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).