N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide

C13H25NO2 — CID 103772999

IUPACN-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC(CCC)CCO
InChIInChI=1S/C13H25NO2/c1-4-6-11(3)13(16)14-10-12(7-5-2)8-9-15/h6,12,15H,4-5,7-10H2,1-3H3,(H,14,16)
InChIKeySANWMZFQASQJFY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.26
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide

N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide (PubChem CID 103772999) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide
PubChem CID103772999
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC(CCC)CCO
InChIInChI=1S/C13H25NO2/c1-4-6-11(3)13(16)14-10-12(7-5-2)8-9-15/h6,12,15H,4-5,7-10H2,1-3H3,(H,14,16)
InChIKeySANWMZFQASQJFY-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.26
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

(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237
N-(2-ethyl-1-hydroxyhexyl)-2-methylprop-2-enamide
CID 54440875
N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide
CID 71018014
N-[5-(hydroxymethyl)-7-methyloctyl]cyclopenta-1,3-diene-1-carboxamide
CID 118682788
N-[6-hydroxy-5-(hydroxymethyl)hexyl]-2-methylprop-2-enamide
CID 140227478
(2E)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 23251855
(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide
CID 43508881
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide
CID 61245294
1-[3-(2-Hydroxyethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
CID 76941865
4-Ethyl-6-(2-methylpent-2-enoylamino)hexanoic acid
CID 77024546
4-Methyl-6-(2-methylpent-2-enoylamino)hexanoic acid
CID 77024843
N-[(2-hydroxycyclohexyl)methyl]-2-methylpent-2-enamide
CID 77050270

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide (CID 103772999) is N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide is CCC=C(C)C(=O)NCC(CCC)CCO.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide?
The InChIKey is SANWMZFQASQJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-11(3)13(16)14-10-12(7-5-2)8-9-15/h6,12,15H,4-5,7-10H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide?
N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2-methylpent-2-enamide is sourced from PubChem (CID 103772999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).