N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide

C23H22N2O3 — CID 108519571

IUPACN',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-28-21-14-8-13-20(15-21)24-22(26)23(27)25(16-18-9-4-2-5-10-18)17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,24,26)
InChIKeyBLKKMVAVSXAVOV-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.86
Rot. Bonds6

About N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide

N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide (PubChem CID 108519571) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
PubChem CID108519571
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-28-21-14-8-13-20(15-21)24-22(26)23(27)25(16-18-9-4-2-5-10-18)17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,24,26)
InChIKeyBLKKMVAVSXAVOV-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108946133
1-benzyl-3-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 4164397
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
1-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-3-(3-methoxyphenyl)thiourea
CID 3656615
N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
CID 108523235
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide?
The IUPAC name of N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide (CID 108519571) is N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide?
The canonical SMILES for N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide?
The InChIKey is BLKKMVAVSXAVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-28-21-14-8-13-20(15-21)24-22(26)23(27)25(16-18-9-4-2-5-10-18)17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,24,26).
What are the key properties of N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide?
N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide has a molecular weight of 374.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 108519571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).