N-(4,4-diethoxybutyl)-4-methylpent-3-enamide

C14H27NO3 — CID 11054326

IUPACN-(4,4-diethoxybutyl)-4-methylpent-3-enamide
SMILESCCOC(CCCNC(=O)CC=C(C)C)OCC
InChIInChI=1S/C14H27NO3/c1-5-17-14(18-6-2)8-7-11-15-13(16)10-9-12(3)4/h9,14H,5-8,10-11H2,1-4H3,(H,15,16)
InChIKeyRFGLBCRCLFBZHE-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.64
Rot. Bonds10

About N-(4,4-diethoxybutyl)-4-methylpent-3-enamide

N-(4,4-diethoxybutyl)-4-methylpent-3-enamide (PubChem CID 11054326) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(4,4-diethoxybutyl)-4-methylpent-3-enamide.

Molecular Properties

Compound NameN-(4,4-diethoxybutyl)-4-methylpent-3-enamide
PubChem CID11054326
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(4,4-diethoxybutyl)-4-methylpent-3-enamide
SMILESCCOC(CCCNC(=O)CC=C(C)C)OCC
InChIInChI=1S/C14H27NO3/c1-5-17-14(18-6-2)8-7-11-15-13(16)10-9-12(3)4/h9,14H,5-8,10-11H2,1-4H3,(H,15,16)
InChIKeyRFGLBCRCLFBZHE-UHFFFAOYSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-diethoxybutyl)-2-hydroxyacetamide
CID 89285758
1-(4,4-diethoxybutyl)-3-ethylurea
CID 10988136
tert-butyl N-(4,4-diethoxybutyl)carbamate
CID 11196290
1,3-dihydroxypropan-2-yl N-(4,4-diethoxybutyl)carbamate
CID 140503778
3,3-diethoxypropylcarbamic acid
CID 21075732
(E,4E)-4-[(Z)-2-chloropent-2-enylidene]-N'-(4,4-diethoxybutyl)-N,2-dimethylpent-2-enediamide
CID 131997204
ethyl 2-(4,4-diethoxybutylamino)acetate
CID 119084301
N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
N-(4,4-diethoxybutyl)-5-formylthiophene-2-carboxamide
CID 129186478
ethyl N-(4,8-dimethylnon-7-enyl)carbamate
CID 89346957
1-(4,4-diethoxybutyl)-3-(4-methylsulfanylphenyl)urea
CID 3808672

Frequently Asked Questions

What is the IUPAC name of N-(4,4-diethoxybutyl)-4-methylpent-3-enamide?
The IUPAC name of N-(4,4-diethoxybutyl)-4-methylpent-3-enamide (CID 11054326) is N-(4,4-diethoxybutyl)-4-methylpent-3-enamide.
What is the SMILES notation for N-(4,4-diethoxybutyl)-4-methylpent-3-enamide?
The canonical SMILES for N-(4,4-diethoxybutyl)-4-methylpent-3-enamide is CCOC(CCCNC(=O)CC=C(C)C)OCC.
What is the InChIKey of N-(4,4-diethoxybutyl)-4-methylpent-3-enamide?
The InChIKey is RFGLBCRCLFBZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-17-14(18-6-2)8-7-11-15-13(16)10-9-12(3)4/h9,14H,5-8,10-11H2,1-4H3,(H,15,16).
What are the key properties of N-(4,4-diethoxybutyl)-4-methylpent-3-enamide?
N-(4,4-diethoxybutyl)-4-methylpent-3-enamide has a molecular weight of 257.37 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diethoxybutyl)-4-methylpent-3-enamide is sourced from PubChem (CID 11054326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).