N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide

C9H17NO3 — CID 18413449

IUPACN-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCO)C(C)O
InChIInChI=1S/C9H17NO3/c1-7(2)9(13)10(8(3)12)5-4-6-11/h8,11-12H,1,4-6H2,2-3H3
InChIKeyCQDNVHBQAHWZJV-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.11
Rot. Bonds5

About N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide

N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide (PubChem CID 18413449) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide
PubChem CID18413449
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCO)C(C)O
InChIInChI=1S/C9H17NO3/c1-7(2)9(13)10(8(3)12)5-4-6-11/h8,11-12H,1,4-6H2,2-3H3
InChIKeyCQDNVHBQAHWZJV-UHFFFAOYSA-N
XLogP0.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-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-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide (CID 18413449) is N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCO)C(C)O.
What is the InChIKey of N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide?
The InChIKey is CQDNVHBQAHWZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)9(13)10(8(3)12)5-4-6-11/h8,11-12H,1,4-6H2,2-3H3.
What are the key properties of N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide?
N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide has a molecular weight of 187.24 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 18413449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).