N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide

C25H26N2O3 — CID 16804384

IUPACN-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-2-30-23-16-10-9-15-22(23)27-25(29)24(28)26-18-17-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,21H,2,17-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyAKTGNGYEYWRHDB-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.36
Rot. Bonds8

About N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide

N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide (PubChem CID 16804384) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide
PubChem CID16804384
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-2-30-23-16-10-9-15-22(23)27-25(29)24(28)26-18-17-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,21H,2,17-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyAKTGNGYEYWRHDB-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide (CID 16804384) is N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide is CCOc1ccccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide?
The InChIKey is AKTGNGYEYWRHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-30-23-16-10-9-15-22(23)27-25(29)24(28)26-18-17-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,21H,2,17-18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide?
N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide has a molecular weight of 402.49 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-N'-(2-ethoxyphenyl)oxamide is sourced from PubChem (CID 16804384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).