5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide

C11H21NO2 — CID 79199422

IUPAC5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide
SMILESC=CCN(C(=O)CCCCO)C(C)C
InChIInChI=1S/C11H21NO2/c1-4-8-12(10(2)3)11(14)7-5-6-9-13/h4,10,13H,1,5-9H2,2-3H3
InChIKeyPZJQFKPHYNWRGO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds7

About 5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide

5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide (PubChem CID 79199422) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide
PubChem CID79199422
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide
SMILESC=CCN(C(=O)CCCCO)C(C)C
InChIInChI=1S/C11H21NO2/c1-4-8-12(10(2)3)11(14)7-5-6-9-13/h4,10,13H,1,5-9H2,2-3H3
InChIKeyPZJQFKPHYNWRGO-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
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 5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide?
The IUPAC name of 5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide (CID 79199422) is 5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide.
What is the SMILES notation for 5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide?
The canonical SMILES for 5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide is C=CCN(C(=O)CCCCO)C(C)C.
What is the InChIKey of 5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide?
The InChIKey is PZJQFKPHYNWRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-8-12(10(2)3)11(14)7-5-6-9-13/h4,10,13H,1,5-9H2,2-3H3.
What are the key properties of 5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide?
5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide has a molecular weight of 199.29 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide is sourced from PubChem (CID 79199422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).