(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide

C16H21NO2 — CID 43389166

IUPAC(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H21NO2/c1-12-4-2-3-5-13(12)6-11-16(19)17-14-7-9-15(18)10-8-14/h2-6,11,14-15,18H,7-10H2,1H3,(H,17,19)/b11-6+
InChIKeyJKDKUGUZIUZLMT-IZZDOVSWSA-N
MW259.35 g/mol
LogP2.43
Rot. Bonds3

About (E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide

(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 43389166) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID43389166
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H21NO2/c1-12-4-2-3-5-13(12)6-11-16(19)17-14-7-9-15(18)10-8-14/h2-6,11,14-15,18H,7-10H2,1H3,(H,17,19)/b11-6+
InChIKeyJKDKUGUZIUZLMT-IZZDOVSWSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.43
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-[3-(2-methylphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77109183
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methylphenyl)prop-2-enamide
CID 104957464
(E)-N-(4-hydroxycyclohexyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43389284
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide
CID 103280647
4-[3-(2-methylphenyl)prop-2-enoylamino]oxolane-3-carboxylic acid
CID 77115033
(E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 173202863
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109928
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60809194
(E)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 44525811
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide (CID 43389166) is (E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide is Cc1ccccc1/C=C/C(=O)NC1CCC(O)CC1.
What is the InChIKey of (E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is JKDKUGUZIUZLMT-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-4-2-3-5-13(12)6-11-16(19)17-14-7-9-15(18)10-8-14/h2-6,11,14-15,18H,7-10H2,1H3,(H,17,19)/b11-6+.
What are the key properties of (E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide?
(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 259.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 43389166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).