N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide

C30H28N2O4 — CID 141426633

IUPACN'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
SMILESCCOc1ccc(N(C(=O)C(=O)N(c2ccccc2)c2ccccc2)c2ccccc2)cc1OCC
InChIInChI=1S/C30H28N2O4/c1-3-35-27-21-20-26(22-28(27)36-4-2)32(25-18-12-7-13-19-25)30(34)29(33)31(23-14-8-5-9-15-23)24-16-10-6-11-17-24/h5-22H,3-4H2,1-2H3
InChIKeyAUUNSTVXCYQSDM-UHFFFAOYSA-N
MW480.56 g/mol
LogP6.51
Rot. Bonds8

About N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide

N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide (PubChem CID 141426633) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide.

Molecular Properties

Compound NameN'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
PubChem CID141426633
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC NameN'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
SMILESCCOc1ccc(N(C(=O)C(=O)N(c2ccccc2)c2ccccc2)c2ccccc2)cc1OCC
InChIInChI=1S/C30H28N2O4/c1-3-35-27-21-20-26(22-28(27)36-4-2)32(25-18-12-7-13-19-25)30(34)29(33)31(23-14-8-5-9-15-23)24-16-10-6-11-17-24/h5-22H,3-4H2,1-2H3
InChIKeyAUUNSTVXCYQSDM-UHFFFAOYSA-N
XLogP6.51
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide
CID 108519870
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904
3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide
CID 78783998
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
bis(3,4-diethoxyphenyl)methanone
CID 135325793
[4-(diethylamino)-2-ethoxyphenyl] 2-[4-(diethylamino)-2-ethoxyphenyl]benzoate
CID 129099505
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 11419624

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide?
The IUPAC name of N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide (CID 141426633) is N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide.
What is the SMILES notation for N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide?
The canonical SMILES for N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide is CCOc1ccc(N(C(=O)C(=O)N(c2ccccc2)c2ccccc2)c2ccccc2)cc1OCC.
What is the InChIKey of N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide?
The InChIKey is AUUNSTVXCYQSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-3-35-27-21-20-26(22-28(27)36-4-2)32(25-18-12-7-13-19-25)30(34)29(33)31(23-14-8-5-9-15-23)24-16-10-6-11-17-24/h5-22H,3-4H2,1-2H3.
What are the key properties of N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide?
N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide has a molecular weight of 480.56 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide is sourced from PubChem (CID 141426633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).