3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide

C11H21NO2 — CID 12682172

IUPAC3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
SMILESC=C(C)C(C(=O)N(C)C)C(O)CCC
InChIInChI=1S/C11H21NO2/c1-6-7-9(13)10(8(2)3)11(14)12(4)5/h9-10,13H,2,6-7H2,1,3-5H3
InChIKeyWHTDIJRMZHQIKZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.43
Rot. Bonds5

About 3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide

3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide (PubChem CID 12682172) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
PubChem CID12682172
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide
SMILESC=C(C)C(C(=O)N(C)C)C(O)CCC
InChIInChI=1S/C11H21NO2/c1-6-7-9(13)10(8(2)3)11(14)12(4)5/h9-10,13H,2,6-7H2,1,3-5H3
InChIKeyWHTDIJRMZHQIKZ-UHFFFAOYSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide
CID 12682146
2-fluoro-N,N-dimethylpentanamide
CID 135391133
(3S,4S)-4-hydroxy-3-methoxycarbonyl-2-methylideneheptanoic acid
CID 139248069
acetyl 2-acetyl-3-hydroxyhexanoate
CID 174800593
2-methyloct-1-ene-4,5-diol
CID 103454915
(3R,4S)-4-hydroxy-3-methylheptan-2-one
CID 13172578
(3S,4S)-3-hydroperoxy-2-methylhept-1-en-4-ol
CID 101416470
(2R,3S)-3-ethenyl-2-prop-1-en-2-ylhexanoic acid
CID 11041368
4-hydroxy-2-methylhept-1-en-3-one
CID 103454011
octane-4,5-diol;hydrate
CID 141056272
(2R)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)pentanamide
CID 107568096
butane-1,1-diol;carbonic acid
CID 88634618

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide (CID 12682172) is 3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide is C=C(C)C(C(=O)N(C)C)C(O)CCC.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide?
The InChIKey is WHTDIJRMZHQIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-7-9(13)10(8(2)3)11(14)12(4)5/h9-10,13H,2,6-7H2,1,3-5H3.
What are the key properties of 3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide?
3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide has a molecular weight of 199.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-2-prop-1-en-2-ylhexanamide is sourced from PubChem (CID 12682172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).