N-butyl-N'-(4-carbamoylphenyl)oxamide

C13H17N3O3 — CID 7584966

IUPACN-butyl-N'-(4-carbamoylphenyl)oxamide
SMILESCCCCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17N3O3/c1-2-3-8-15-12(18)13(19)16-10-6-4-9(5-7-10)11(14)17/h4-7H,2-3,8H2,1H3,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyLFHSUOYLTDACND-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.64
Rot. Bonds5

About N-butyl-N'-(4-carbamoylphenyl)oxamide

N-butyl-N'-(4-carbamoylphenyl)oxamide (PubChem CID 7584966) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-butyl-N'-(4-carbamoylphenyl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(4-carbamoylphenyl)oxamide
PubChem CID7584966
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-butyl-N'-(4-carbamoylphenyl)oxamide
SMILESCCCCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17N3O3/c1-2-3-8-15-12(18)13(19)16-10-6-4-9(5-7-10)11(14)17/h4-7H,2-3,8H2,1H3,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyLFHSUOYLTDACND-UHFFFAOYSA-N
XLogP0.64
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-carbamoylphenyl)oxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-N'-phenyloxamide
CID 2290889
N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide
CID 108513978
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide
CID 43316270
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N'-phenyl-N-propyloxamide
CID 2291438
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N-(4-carbamoylphenyl)-N',N'-dipropyloxamide
CID 108528696
N-benzyl-N'-(4-carbamoylphenyl)oxamide
CID 7584954

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(4-carbamoylphenyl)oxamide?
The IUPAC name of N-butyl-N'-(4-carbamoylphenyl)oxamide (CID 7584966) is N-butyl-N'-(4-carbamoylphenyl)oxamide.
What is the SMILES notation for N-butyl-N'-(4-carbamoylphenyl)oxamide?
The canonical SMILES for N-butyl-N'-(4-carbamoylphenyl)oxamide is CCCCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-butyl-N'-(4-carbamoylphenyl)oxamide?
The InChIKey is LFHSUOYLTDACND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-3-8-15-12(18)13(19)16-10-6-4-9(5-7-10)11(14)17/h4-7H,2-3,8H2,1H3,(H2,14,17)(H,15,18)(H,16,19).
What are the key properties of N-butyl-N'-(4-carbamoylphenyl)oxamide?
N-butyl-N'-(4-carbamoylphenyl)oxamide has a molecular weight of 263.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(4-carbamoylphenyl)oxamide is sourced from PubChem (CID 7584966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).