N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide

C16H23NO2 — CID 111447673

IUPACN-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCC(C)CC(C)O)cc1
InChIInChI=1S/C16H23NO2/c1-12-4-6-15(7-5-12)8-9-16(19)17-11-13(2)10-14(3)18/h4-9,13-14,18H,10-11H2,1-3H3,(H,17,19)
InChIKeyJBGHCFIHZUEURM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.53
Rot. Bonds6

About N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide

N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 111447673) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID111447673
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCC(C)CC(C)O)cc1
InChIInChI=1S/C16H23NO2/c1-12-4-6-15(7-5-12)8-9-16(19)17-11-13(2)10-14(3)18/h4-9,13-14,18H,10-11H2,1-3H3,(H,17,19)
InChIKeyJBGHCFIHZUEURM-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.53
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

4-[3-[(4-hydroxy-2-methylpentyl)amino]-3-oxoprop-1-enyl]benzamide
CID 111595447
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
N-(3-hydroxy-4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 111460772
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 55593221
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
CID 92898615
3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055669
5-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 82688209
(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide
CID 53243304
(E)-N'-(4-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)but-2-enediamide
CID 110007312
5-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 82010200
(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 897562
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide (CID 111447673) is N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(C=CC(=O)NCC(C)CC(C)O)cc1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is JBGHCFIHZUEURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-4-6-15(7-5-12)8-9-16(19)17-11-13(2)10-14(3)18/h4-9,13-14,18H,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide?
N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 111447673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).