N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide

C9H17NO2 — CID 87184685

IUPACN-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCCO
InChIInChI=1S/C9H17NO2/c1-8(2)9(12)10(3)6-4-5-7-11/h11H,1,4-7H2,2-3H3
InChIKeyZXXBIMBIJAGGEE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.79
Rot. Bonds5

About N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide

N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide (PubChem CID 87184685) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide
PubChem CID87184685
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCCO
InChIInChI=1S/C9H17NO2/c1-8(2)9(12)10(3)6-4-5-7-11/h11H,1,4-7H2,2-3H3
InChIKeyZXXBIMBIJAGGEE-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide (CID 87184685) is N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)CCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide?
The InChIKey is ZXXBIMBIJAGGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)9(12)10(3)6-4-5-7-11/h11H,1,4-7H2,2-3H3.
What are the key properties of N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide?
N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 87184685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).