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

C15H21NO2 — CID 77055669

IUPAC3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NCC(C)CO)cc1
InChIInChI=1S/C15H21NO2/c1-3-13-4-6-14(7-5-13)8-9-15(18)16-10-12(2)11-17/h4-9,12,17H,3,10-11H2,1-2H3,(H,16,18)
InChIKeyFWWLDQSRIZLXFV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.01
Rot. Bonds6

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

3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide (PubChem CID 77055669) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
PubChem CID77055669
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NCC(C)CO)cc1
InChIInChI=1S/C15H21NO2/c1-3-13-4-6-14(7-5-13)8-9-15(18)16-10-12(2)11-17/h4-9,12,17H,3,10-11H2,1-2H3,(H,16,18)
InChIKeyFWWLDQSRIZLXFV-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide
CID 106166029
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 77064988
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide
CID 77024262
3-(3,5-dichlorophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055769
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide
CID 53243304
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055695
(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39962305
ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 60817403

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide (CID 77055669) is 3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide is CCc1ccc(C=CC(=O)NCC(C)CO)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
The InChIKey is FWWLDQSRIZLXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-13-4-6-14(7-5-13)8-9-15(18)16-10-12(2)11-17/h4-9,12,17H,3,10-11H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 77055669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).