N,N-diethylbut-3-enamide

C8H15NO — CID 12545744

IUPACN,N-diethylbut-3-enamide
SMILESC=CCC(=O)N(CC)CC
InChIInChI=1S/C8H15NO/c1-4-7-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyLFLPVHJRYKZGND-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds4

About N,N-diethylbut-3-enamide

N,N-diethylbut-3-enamide (PubChem CID 12545744) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N,N-diethylbut-3-enamide.

Molecular Properties

Compound NameN,N-diethylbut-3-enamide
PubChem CID12545744
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN,N-diethylbut-3-enamide
SMILESC=CCC(=O)N(CC)CC
InChIInChI=1S/C8H15NO/c1-4-7-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKeyLFLPVHJRYKZGND-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methylbut-3-enamide
CID 23466641
ethane;N-ethyl-N-methylbut-3-enamide
CID 142224309
N,N-bis(ethylsulfanyl)but-3-enamide
CID 45118434
N,N-diethyl-2-(prop-2-enylamino)acetamide
CID 28563292
N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
CID 104553462
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
N,N-dibenzylbut-3-enamide
CID 134848345
N-ethyl-N-(2-hydroxyethyl)pent-4-enamide
CID 62678717
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
(213C)pent-4-en-2-one
CID 173180315
1-ethylsulfanylpent-4-en-2-one
CID 65131323
N-ethyl-2-(prop-2-enylamino)-N-propylacetamide
CID 79286208

Frequently Asked Questions

What is the IUPAC name of N,N-diethylbut-3-enamide?
The IUPAC name of N,N-diethylbut-3-enamide (CID 12545744) is N,N-diethylbut-3-enamide.
What is the SMILES notation for N,N-diethylbut-3-enamide?
The canonical SMILES for N,N-diethylbut-3-enamide is C=CCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethylbut-3-enamide?
The InChIKey is LFLPVHJRYKZGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7-8(10)9(5-2)6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of N,N-diethylbut-3-enamide?
N,N-diethylbut-3-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbut-3-enamide is sourced from PubChem (CID 12545744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).