N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide

C10H19NO2 — CID 62678349

IUPACN-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide
SMILESC=CCCC(=O)N(CCO)C(C)C
InChIInChI=1S/C10H19NO2/c1-4-5-6-10(13)11(7-8-12)9(2)3/h4,9,12H,1,5-8H2,2-3H3
InChIKeyDJTQMOFMWIITSD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.18
Rot. Bonds6

About N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide

N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide (PubChem CID 62678349) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide
PubChem CID62678349
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide
SMILESC=CCCC(=O)N(CCO)C(C)C
InChIInChI=1S/C10H19NO2/c1-4-5-6-10(13)11(7-8-12)9(2)3/h4,9,12H,1,5-8H2,2-3H3
InChIKeyDJTQMOFMWIITSD-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide (CID 62678349) is N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide is C=CCCC(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide?
The InChIKey is DJTQMOFMWIITSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-6-10(13)11(7-8-12)9(2)3/h4,9,12H,1,5-8H2,2-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide?
N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 62678349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).