N-butyl-N-(4-oxobutyl)prop-2-enamide

C11H19NO2 — CID 90459536

IUPACN-butyl-N-(4-oxobutyl)prop-2-enamide
SMILESC=CC(=O)N(CCCC)CCCC=O
InChIInChI=1S/C11H19NO2/c1-3-5-8-12(11(14)4-2)9-6-7-10-13/h4,10H,2-3,5-9H2,1H3
InChIKeyLSVIRAPJPVMVSB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.78
Rot. Bonds8

About N-butyl-N-(4-oxobutyl)prop-2-enamide

N-butyl-N-(4-oxobutyl)prop-2-enamide (PubChem CID 90459536) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-butyl-N-(4-oxobutyl)prop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-(4-oxobutyl)prop-2-enamide
PubChem CID90459536
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-butyl-N-(4-oxobutyl)prop-2-enamide
SMILESC=CC(=O)N(CCCC)CCCC=O
InChIInChI=1S/C11H19NO2/c1-3-5-8-12(11(14)4-2)9-6-7-10-13/h4,10H,2-3,5-9H2,1H3
InChIKeyLSVIRAPJPVMVSB-UHFFFAOYSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(5,5-difluoropentyl)prop-2-enamide
CID 89352114
methyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486283
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
hexyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486285
N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide
CID 173437845
N-butyl-N-hexyl-11-oxoundecanamide
CID 172894369
N-(5,5-difluoropentyl)-N-propylprop-2-enamide
CID 89357676
2-oxo-N,N-dipentylacetamide
CID 173270633
ethane;N-ethyl-N-(4-oxobutyl)acetamide
CID 143387897

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-oxobutyl)prop-2-enamide?
The IUPAC name of N-butyl-N-(4-oxobutyl)prop-2-enamide (CID 90459536) is N-butyl-N-(4-oxobutyl)prop-2-enamide.
What is the SMILES notation for N-butyl-N-(4-oxobutyl)prop-2-enamide?
The canonical SMILES for N-butyl-N-(4-oxobutyl)prop-2-enamide is C=CC(=O)N(CCCC)CCCC=O.
What is the InChIKey of N-butyl-N-(4-oxobutyl)prop-2-enamide?
The InChIKey is LSVIRAPJPVMVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-5-8-12(11(14)4-2)9-6-7-10-13/h4,10H,2-3,5-9H2,1H3.
What are the key properties of N-butyl-N-(4-oxobutyl)prop-2-enamide?
N-butyl-N-(4-oxobutyl)prop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-oxobutyl)prop-2-enamide is sourced from PubChem (CID 90459536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).