N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide

C23H22N2O3 — CID 44902136

IUPACN'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-28-20-14-12-17(13-15-20)16-24-22(26)23(27)25-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyPRMYOBCSGBPLHX-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.22
Rot. Bonds6

About N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide

N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 44902136) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID44902136
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-28-20-14-12-17(13-15-20)16-24-22(26)23(27)25-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyPRMYOBCSGBPLHX-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzhydryl-3-[(4-methoxyphenyl)methyl]thiourea
CID 8618623
1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
CID 38273727
N'-[1-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108510275
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 42954212
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641

Frequently Asked Questions

What is the IUPAC name of N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide (CID 44902136) is N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is PRMYOBCSGBPLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-28-20-14-12-17(13-15-20)16-24-22(26)23(27)25-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide?
N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 374.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 44902136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).