N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide

C19H22N2O3 — CID 108518112

IUPACN'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-15-7-9-16(10-8-15)13-20-18(23)19(24)21(11-12-22)14-17-5-3-2-4-6-17/h2-10,22H,11-14H2,1H3,(H,20,23)
InChIKeyBFYVSQRHBBMEKQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.63
Rot. Bonds6

About N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide

N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 108518112) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
PubChem CID108518112
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-15-7-9-16(10-8-15)13-20-18(23)19(24)21(11-12-22)14-17-5-3-2-4-6-17/h2-10,22H,11-14H2,1H3,(H,20,23)
InChIKeyBFYVSQRHBBMEKQ-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide 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

1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
4-(acetamidomethyl)-N-benzyl-N-(2-hydroxyethyl)benzamide
CID 110880403
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507733

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide (CID 108518112) is N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)N(CCO)Cc2ccccc2)cc1.
What is the InChIKey of N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is BFYVSQRHBBMEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15-7-9-16(10-8-15)13-20-18(23)19(24)21(11-12-22)14-17-5-3-2-4-6-17/h2-10,22H,11-14H2,1H3,(H,20,23).
What are the key properties of N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide?
N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 326.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108518112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).