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

C16H23NO2 — CID 103712889

IUPAC(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCCCC(C)(O)CNC(=O)/C=C/c1ccccc1C
InChIInChI=1S/C16H23NO2/c1-4-11-16(3,19)12-17-15(18)10-9-14-8-6-5-7-13(14)2/h5-10,19H,4,11-12H2,1-3H3,(H,17,18)/b10-9+
InChIKeyUGRDTTPGNSXBDG-MDZDMXLPSA-N
MW261.37 g/mol
LogP2.68
Rot. Bonds6

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

(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 103712889) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID103712889
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCCCC(C)(O)CNC(=O)/C=C/c1ccccc1C
InChIInChI=1S/C16H23NO2/c1-4-11-16(3,19)12-17-15(18)10-9-14-8-6-5-7-13(14)2/h5-10,19H,4,11-12H2,1-3H3,(H,17,18)/b10-9+
InChIKeyUGRDTTPGNSXBDG-MDZDMXLPSA-N
XLogP2.68
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 ≤ 52.68
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

(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713244
(E)-N-(2-hydroxy-2-methylpentyl)-3-(3-methylphenyl)prop-2-enamide
CID 103713336
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113246004
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide
CID 115612706
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713325
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
3-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 81064774
diethyl-[[2-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]azanium
CID 9073835
3-(4-fluorophenyl)-N-(2-hydroxy-2-methylbutyl)prop-2-enamide
CID 77056546
(E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide
CID 111444784

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide (CID 103712889) is (E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide is CCCC(C)(O)CNC(=O)/C=C/c1ccccc1C.
What is the InChIKey of (E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is UGRDTTPGNSXBDG-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-11-16(3,19)12-17-15(18)10-9-14-8-6-5-7-13(14)2/h5-10,19H,4,11-12H2,1-3H3,(H,17,18)/b10-9+.
What are the key properties of (E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide?
(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 103712889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).