N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide

C9H17NO2 — CID 87184698

IUPACN-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCC(C)O
InChIInChI=1S/C9H17NO2/c1-7(2)9(12)10(4)6-5-8(3)11/h8,11H,1,5-6H2,2-4H3
InChIKeyDPZOEVBTOWWZMS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.79
Rot. Bonds4

About N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide

N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide (PubChem CID 87184698) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide
PubChem CID87184698
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCC(C)O
InChIInChI=1S/C9H17NO2/c1-7(2)9(12)10(4)6-5-8(3)11/h8,11H,1,5-6H2,2-4H3
InChIKeyDPZOEVBTOWWZMS-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide (CID 87184698) is N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide?
The InChIKey is DPZOEVBTOWWZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(12)10(4)6-5-8(3)11/h8,11H,1,5-6H2,2-4H3.
What are the key properties of N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide?
N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 87184698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).