N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide

C11H21NO2 — CID 87108274

IUPACN-(2-ethyl-3-hydroxyhexyl)prop-2-enamide
SMILESC=CC(=O)NCC(CC)C(O)CCC
InChIInChI=1S/C11H21NO2/c1-4-7-10(13)9(5-2)8-12-11(14)6-3/h6,9-10,13H,3-5,7-8H2,1-2H3,(H,12,14)
InChIKeyWCRXDKIUMUFDBH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds7

About N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide

N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide (PubChem CID 87108274) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethyl-3-hydroxyhexyl)prop-2-enamide
PubChem CID87108274
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2-ethyl-3-hydroxyhexyl)prop-2-enamide
SMILESC=CC(=O)NCC(CC)C(O)CCC
InChIInChI=1S/C11H21NO2/c1-4-7-10(13)9(5-2)8-12-11(14)6-3/h6,9-10,13H,3-5,7-8H2,1-2H3,(H,12,14)
InChIKeyWCRXDKIUMUFDBH-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypentyl)prop-2-enamide
CID 17809091
N-(2-ethyl-1-hydroxyhexyl)prop-2-enamide
CID 53742378
N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
CID 57165167
N-[cyclohexyl(hydroxy)methyl]prop-2-enamide
CID 57207011
N-(2-ethyl-3-hydroxyhexyl)-2-methylprop-2-enamide
CID 87107819
N-(4-hydroxy-2-methylpentyl)-2-methylprop-2-enamide
CID 87115704
N-(2-ethyl-3-hydroxyhexyl)-N-methylprop-2-enamide
CID 87184663
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
N-(2-hydroxy-4-methylpentyl)prop-2-enamide
CID 107151818
N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide
CID 121383948
N-(6-hydroxy-4-methyloctyl)-2-methylprop-2-enamide
CID 139307856

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide?
The IUPAC name of N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide (CID 87108274) is N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide.
What is the SMILES notation for N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide?
The canonical SMILES for N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide is C=CC(=O)NCC(CC)C(O)CCC.
What is the InChIKey of N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide?
The InChIKey is WCRXDKIUMUFDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-7-10(13)9(5-2)8-12-11(14)6-3/h6,9-10,13H,3-5,7-8H2,1-2H3,(H,12,14).
What are the key properties of N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide?
N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide is sourced from PubChem (CID 87108274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).