N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide

C18H20N2O3 — CID 110895294

IUPACN-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-3-19-17(22)14-10-9-12(2)15(11-14)20-18(23)16(21)13-7-5-4-6-8-13/h4-11,16,21H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBDDUYYPHBPCQEA-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.42
Rot. Bonds5

About N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide

N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide (PubChem CID 110895294) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
PubChem CID110895294
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-3-19-17(22)14-10-9-12(2)15(11-14)20-18(23)16(21)13-7-5-4-6-8-13/h4-11,16,21H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBDDUYYPHBPCQEA-UHFFFAOYSA-N
XLogP2.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-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

3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide
CID 119284377
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 120667168
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
CID 60849802
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
CID 95904798
3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
CID 111536692
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-ethyl-4-methylbenzamide
CID 61178101
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide?
The IUPAC name of N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide (CID 110895294) is N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide.
What is the SMILES notation for N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide?
The canonical SMILES for N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)C(O)c2ccccc2)c1.
What is the InChIKey of N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide?
The InChIKey is BDDUYYPHBPCQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-19-17(22)14-10-9-12(2)15(11-14)20-18(23)16(21)13-7-5-4-6-8-13/h4-11,16,21H,3H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide?
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide is sourced from PubChem (CID 110895294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).