N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide

C20H24N2O2 — CID 2910557

IUPACN'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-16(12-13-17-8-4-2-5-9-17)22-20(24)19(23)21-15-14-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyQXAAFDYTUHWJKC-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.48
Rot. Bonds7

About N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide

N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide (PubChem CID 2910557) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide
PubChem CID2910557
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-16(12-13-17-8-4-2-5-9-17)22-20(24)19(23)21-15-14-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyQXAAFDYTUHWJKC-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide (CID 2910557) is N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide is CC(CCc1ccccc1)NC(=O)C(=O)NCCc1ccccc1.
What is the InChIKey of N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide?
The InChIKey is QXAAFDYTUHWJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(12-13-17-8-4-2-5-9-17)22-20(24)19(23)21-15-14-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide?
N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide has a molecular weight of 324.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenylbutan-2-yl)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 2910557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).