(Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide

C9H14N2O3 — CID 6438040

IUPAC(Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide
SMILESC/C=C(/CC)C(=O)NC(=O)NC(C)=O
InChIInChI=1S/C9H14N2O3/c1-4-7(5-2)8(13)11-9(14)10-6(3)12/h4H,5H2,1-3H3,(H2,10,11,12,13,14)/b7-4-
InChIKeyGIVGVNLRHLKCMH-DAXSKMNVSA-N
MW198.22 g/mol
LogP0.71
Rot. Bonds2

About (Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide

(Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide (PubChem CID 6438040) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide
PubChem CID6438040
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide
SMILESC/C=C(/CC)C(=O)NC(=O)NC(C)=O
InChIInChI=1S/C9H14N2O3/c1-4-7(5-2)8(13)11-9(14)10-6(3)12/h4H,5H2,1-3H3,(H2,10,11,12,13,14)/b7-4-
InChIKeyGIVGVNLRHLKCMH-DAXSKMNVSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ectylurea
CID 5895404
(2-Ethylcrotonoyl)urea
CID 5354486
Uracil, 5-allyl-6-methyl-
CID 824910
Cenestil
CID 6377520
N-(Aminocarbonyl)-2-ethyl-2-butenamide
CID 7214
Urea, 1-(2-ethylidenehexanoyl)-
CID 6437787
Urea, 1-(2-tert-butylcrotonoyl)-
CID 6447723
Urea, 1-(2-ethylidenevaleryl)-
CID 24847543
N-Carbamoyl-2-ethylidenehexanamide
CID 113609
1-(3-Ethyl-2-pentenoyl)urea
CID 3032106
3-Ethylpyrrole-2,5-dione;2-methylprop-1-ene
CID 18504405
Azane;3-ethylpyrrole-2,5-dione
CID 19898400

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide?
The IUPAC name of (Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide (CID 6438040) is (Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide.
What is the SMILES notation for (Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide?
The canonical SMILES for (Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide is C/C=C(/CC)C(=O)NC(=O)NC(C)=O.
What is the InChIKey of (Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide?
The InChIKey is GIVGVNLRHLKCMH-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-7(5-2)8(13)11-9(14)10-6(3)12/h4H,5H2,1-3H3,(H2,10,11,12,13,14)/b7-4-.
What are the key properties of (Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide?
(Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide has a molecular weight of 198.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide is sourced from PubChem (CID 6438040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).