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

C16H23NO2 — CID 77112880

IUPAC3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NCC(C)CCO)cc1
InChIInChI=1S/C16H23NO2/c1-3-14-4-6-15(7-5-14)8-9-16(19)17-12-13(2)10-11-18/h4-9,13,18H,3,10-12H2,1-2H3,(H,17,19)
InChIKeyYUYLBSAGSSVTIF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.40
Rot. Bonds7

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

3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide (PubChem CID 77112880) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
PubChem CID77112880
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NCC(C)CCO)cc1
InChIInChI=1S/C16H23NO2/c1-3-14-4-6-15(7-5-14)8-9-16(19)17-12-13(2)10-11-18/h4-9,13,18H,3,10-12H2,1-2H3,(H,17,19)
InChIKeyYUYLBSAGSSVTIF-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.40
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-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055669
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
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 115344482
3-(1,3-benzodioxol-5-yl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 77112808
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide
CID 77024262
(E)-3-(4-fluoro-3-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 109380204
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473009
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 77064988
5-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 82688209
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide (CID 77112880) is 3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide is CCc1ccc(C=CC(=O)NCC(C)CCO)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
The InChIKey is YUYLBSAGSSVTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-14-4-6-15(7-5-14)8-9-16(19)17-12-13(2)10-11-18/h4-9,13,18H,3,10-12H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide is sourced from PubChem (CID 77112880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).