3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide

C15H21NO3 — CID 77024262

IUPAC3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NCC(O)COC)cc1
InChIInChI=1S/C15H21NO3/c1-3-12-4-6-13(7-5-12)8-9-15(18)16-10-14(17)11-19-2/h4-9,14,17H,3,10-11H2,1-2H3,(H,16,18)
InChIKeyPNGSEJBNBDEHFK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.39
Rot. Bonds7

About 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide

3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide (PubChem CID 77024262) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide
PubChem CID77024262
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NCC(O)COC)cc1
InChIInChI=1S/C15H21NO3/c1-3-12-4-6-13(7-5-12)8-9-15(18)16-10-14(17)11-19-2/h4-9,14,17H,3,10-11H2,1-2H3,(H,16,18)
InChIKeyPNGSEJBNBDEHFK-UHFFFAOYSA-N
XLogP1.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-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

Related Compounds

3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide
CID 106166029
3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055669
(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79676613
3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 77112880
5-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 82010200
(E)-3-(4-fluorophenyl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103877112
(E)-3-(4-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103876818
ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 60817403
(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide
CID 113343565
methyl (2R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]propanoate
CID 113257899
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
3-(2-bromo-4-methylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide
CID 77024335

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide (CID 77024262) is 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide is CCc1ccc(C=CC(=O)NCC(O)COC)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide?
The InChIKey is PNGSEJBNBDEHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12-4-6-13(7-5-12)8-9-15(18)16-10-14(17)11-19-2/h4-9,14,17H,3,10-11H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide?
3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide is sourced from PubChem (CID 77024262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).