N-(5-hydroxypentyl)-N-prop-2-enylbutanamide

C12H23NO2 — CID 135128673

IUPACN-(5-hydroxypentyl)-N-prop-2-enylbutanamide
SMILESC=CCN(CCCCCO)C(=O)CCC
InChIInChI=1S/C12H23NO2/c1-3-8-12(15)13(9-4-2)10-6-5-7-11-14/h4,14H,2-3,5-11H2,1H3
InChIKeyDDMBSMLLNAGONG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds9

About N-(5-hydroxypentyl)-N-prop-2-enylbutanamide

N-(5-hydroxypentyl)-N-prop-2-enylbutanamide (PubChem CID 135128673) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-prop-2-enylbutanamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-prop-2-enylbutanamide
PubChem CID135128673
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(5-hydroxypentyl)-N-prop-2-enylbutanamide
SMILESC=CCN(CCCCCO)C(=O)CCC
InChIInChI=1S/C12H23NO2/c1-3-8-12(15)13(9-4-2)10-6-5-7-11-14/h4,14H,2-3,5-11H2,1H3
InChIKeyDDMBSMLLNAGONG-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-prop-2-enylbutanamide?
The IUPAC name of N-(5-hydroxypentyl)-N-prop-2-enylbutanamide (CID 135128673) is N-(5-hydroxypentyl)-N-prop-2-enylbutanamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-prop-2-enylbutanamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-prop-2-enylbutanamide is C=CCN(CCCCCO)C(=O)CCC.
What is the InChIKey of N-(5-hydroxypentyl)-N-prop-2-enylbutanamide?
The InChIKey is DDMBSMLLNAGONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-8-12(15)13(9-4-2)10-6-5-7-11-14/h4,14H,2-3,5-11H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-prop-2-enylbutanamide?
N-(5-hydroxypentyl)-N-prop-2-enylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-prop-2-enylbutanamide is sourced from PubChem (CID 135128673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).