N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide

C23H22N2O4 — CID 44998153

IUPACN'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C23H22N2O4/c1-28-18-13-14-19(20(15-18)29-2)24-22(26)23(27)25-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H,24,26)(H,25,27)
InChIKeyLWOWXVYNOGERSZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.55
Rot. Bonds6

About N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide

N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide (PubChem CID 44998153) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide
PubChem CID44998153
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C23H22N2O4/c1-28-18-13-14-19(20(15-18)29-2)24-22(26)23(27)25-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H,24,26)(H,25,27)
InChIKeyLWOWXVYNOGERSZ-UHFFFAOYSA-N
XLogP3.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 90499706
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1192033
N-(2,4-dimethoxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987426
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748

Frequently Asked Questions

What is the IUPAC name of N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide?
The IUPAC name of N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide (CID 44998153) is N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide.
What is the SMILES notation for N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide?
The canonical SMILES for N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide?
The InChIKey is LWOWXVYNOGERSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-28-18-13-14-19(20(15-18)29-2)24-22(26)23(27)25-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide?
N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide has a molecular weight of 390.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide is sourced from PubChem (CID 44998153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).