N-carbamoyl-2-ethylbut-3-enamide

C7H12N2O2 — CID 163943952

IUPACN-carbamoyl-2-ethylbut-3-enamide
SMILESC=CC(CC)C(=O)NC(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3,5H,1,4H2,2H3,(H3,8,9,10,11)
InChIKeyRTLJKBMCNBZARH-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.39
Rot. Bonds3

About N-carbamoyl-2-ethylbut-3-enamide

N-carbamoyl-2-ethylbut-3-enamide (PubChem CID 163943952) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is N-carbamoyl-2-ethylbut-3-enamide.

Molecular Properties

Compound NameN-carbamoyl-2-ethylbut-3-enamide
PubChem CID163943952
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC NameN-carbamoyl-2-ethylbut-3-enamide
SMILESC=CC(CC)C(=O)NC(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3,5H,1,4H2,2H3,(H3,8,9,10,11)
InChIKeyRTLJKBMCNBZARH-UHFFFAOYSA-N
XLogP0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-carbamoyl-2-ethylbut-3-enamide 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

Allylisopropylacetylurea
CID 10715
5-(2-Propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 17376
(E)-N-carbamoyl-2-propan-2-ylpent-3-enamide
CID 5354355
Allylethylacetylbiuret
CID 20846579
(2-Allyl-isohexanoyl)-urea
CID 588445
N-carbamoyl-2-propylpent-4-enamide
CID 231347
N-carbamoylbut-3-enamide
CID 87784811
N-carbamoylpent-4-enamide
CID 152780678
N-carbamoyl-2-propan-2-ylpent-3-enamide
CID 222036
n-Carbamoyl-2-(prop-2-en-1-yl)pent-4-enamide
CID 231288
N-(carbamoylcarbamoyl)-3-methylhex-5-enamide
CID 11971859
N,N-dicarbamoyl-2-ethylpent-4-enamide
CID 24839246

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-ethylbut-3-enamide?
The IUPAC name of N-carbamoyl-2-ethylbut-3-enamide (CID 163943952) is N-carbamoyl-2-ethylbut-3-enamide.
What is the SMILES notation for N-carbamoyl-2-ethylbut-3-enamide?
The canonical SMILES for N-carbamoyl-2-ethylbut-3-enamide is C=CC(CC)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-ethylbut-3-enamide?
The InChIKey is RTLJKBMCNBZARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3,5H,1,4H2,2H3,(H3,8,9,10,11).
What are the key properties of N-carbamoyl-2-ethylbut-3-enamide?
N-carbamoyl-2-ethylbut-3-enamide has a molecular weight of 156.18 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-ethylbut-3-enamide is sourced from PubChem (CID 163943952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).