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

C16H24N2O2 — CID 2908270

IUPACN-butyl-N'-(4-phenylbutan-2-yl)oxamide
SMILESCCCCNC(=O)C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-4-12-17-15(19)16(20)18-13(2)10-11-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGRTHRSBSSBYURO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds7

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

N-butyl-N'-(4-phenylbutan-2-yl)oxamide (PubChem CID 2908270) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-butyl-N'-(4-phenylbutan-2-yl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(4-phenylbutan-2-yl)oxamide
PubChem CID2908270
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-butyl-N'-(4-phenylbutan-2-yl)oxamide
SMILESCCCCNC(=O)C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-4-12-17-15(19)16(20)18-13(2)10-11-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGRTHRSBSSBYURO-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-N'-(4-phenylbutan-2-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(4-phenylbutan-2-yl)oxamide?
The IUPAC name of N-butyl-N'-(4-phenylbutan-2-yl)oxamide (CID 2908270) is N-butyl-N'-(4-phenylbutan-2-yl)oxamide.
What is the SMILES notation for N-butyl-N'-(4-phenylbutan-2-yl)oxamide?
The canonical SMILES for N-butyl-N'-(4-phenylbutan-2-yl)oxamide is CCCCNC(=O)C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of N-butyl-N'-(4-phenylbutan-2-yl)oxamide?
The InChIKey is GRTHRSBSSBYURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-12-17-15(19)16(20)18-13(2)10-11-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-butyl-N'-(4-phenylbutan-2-yl)oxamide?
N-butyl-N'-(4-phenylbutan-2-yl)oxamide has a molecular weight of 276.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(4-phenylbutan-2-yl)oxamide is sourced from PubChem (CID 2908270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).