N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide

C13H17N3O3 — CID 45001357

IUPACN'-butan-2-yl-N-(4-carbamoylphenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17N3O3/c1-3-8(2)15-12(18)13(19)16-10-6-4-9(5-7-10)11(14)17/h4-8H,3H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyASYGFDQWCOJAQX-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.64
Rot. Bonds4

About N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide

N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide (PubChem CID 45001357) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(4-carbamoylphenyl)oxamide
PubChem CID45001357
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN'-butan-2-yl-N-(4-carbamoylphenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17N3O3/c1-3-8(2)15-12(18)13(19)16-10-6-4-9(5-7-10)11(14)17/h4-8H,3H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyASYGFDQWCOJAQX-UHFFFAOYSA-N
XLogP0.64
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
N-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
N-(4-bromo-3-methylphenyl)-N'-butan-2-yloxamide
CID 2926820
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
CID 108530450

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide?
The IUPAC name of N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide (CID 45001357) is N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide.
What is the SMILES notation for N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide?
The canonical SMILES for N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide is CCC(C)NC(=O)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide?
The InChIKey is ASYGFDQWCOJAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-8(2)15-12(18)13(19)16-10-6-4-9(5-7-10)11(14)17/h4-8H,3H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19).
What are the key properties of N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide?
N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide has a molecular weight of 263.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide is sourced from PubChem (CID 45001357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).