(E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide

C15H29NO2 — CID 10060932

IUPAC(E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide
SMILESCCCCCC/C(=C\C(=O)N(C)C)C(O)CCC
InChIInChI=1S/C15H29NO2/c1-5-7-8-9-11-13(14(17)10-6-2)12-15(18)16(3)4/h12,14,17H,5-11H2,1-4H3/b13-12+
InChIKeyWTBGHILFWDBZCR-OUKQBFOZSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds9

About (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide

(E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide (PubChem CID 10060932) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide
PubChem CID10060932
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide
SMILESCCCCCC/C(=C\C(=O)N(C)C)C(O)CCC
InChIInChI=1S/C15H29NO2/c1-5-7-8-9-11-13(14(17)10-6-2)12-15(18)16(3)4/h12,14,17H,5-11H2,1-4H3/b13-12+
InChIKeyWTBGHILFWDBZCR-OUKQBFOZSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-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

(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide
CID 11830847
(E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide
CID 10083625
4-hydroxy-N-methyldodec-2-enamide
CID 170984074
(4R)-4-hydroxy-N-methyldodec-2-enamide
CID 170984075
4-Hydroxy-2-methylundec-2-enamide
CID 173114342
1-[3-(3-Hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione
CID 11402427
(E)-3,4-dicyclohexyl-4-hydroxy-N,N-dimethylbut-2-enamide
CID 101613957
(E)-3-[cyclohexyl(hydroxy)methyl]-N,N-dimethylnon-2-enamide
CID 101613972
(E)-3-(1-hydroxyprop-2-enyl)-N,N-dimethylnon-2-enamide
CID 101613973

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide?
The IUPAC name of (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide (CID 10060932) is (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide.
What is the SMILES notation for (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide?
The canonical SMILES for (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide is CCCCCC/C(=C\C(=O)N(C)C)C(O)CCC.
What is the InChIKey of (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide?
The InChIKey is WTBGHILFWDBZCR-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-7-8-9-11-13(14(17)10-6-2)12-15(18)16(3)4/h12,14,17H,5-11H2,1-4H3/b13-12+.
What are the key properties of (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide?
(E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide has a molecular weight of 255.40 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide is sourced from PubChem (CID 10060932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).