(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide

C15H19NO2 — CID 14965451

IUPAC(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCCCC1O
InChIInChI=1S/C15H19NO2/c17-14-9-5-4-8-13(14)16-15(18)11-10-12-6-2-1-3-7-12/h1-3,6-7,10-11,13-14,17H,4-5,8-9H2,(H,16,18)/b11-10+
InChIKeyDFAHANWYPSKHEP-ZHACJKMWSA-N
MW245.32 g/mol
LogP2.12
Rot. Bonds3

About (E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide

(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide (PubChem CID 14965451) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
PubChem CID14965451
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCCCC1O
InChIInChI=1S/C15H19NO2/c17-14-9-5-4-8-13(14)16-15(18)11-10-12-6-2-1-3-7-12/h1-3,6-7,10-11,13-14,17H,4-5,8-9H2,(H,16,18)/b11-10+
InChIKeyDFAHANWYPSKHEP-ZHACJKMWSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.12
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-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 55063743
(E)-3-(4-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104956851
3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941453
N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 76941549
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
N-(2-hydroxycyclohexyl)-3-(4-nitrophenyl)prop-2-enamide
CID 76941521
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methylphenyl)prop-2-enamide
CID 104957464
(E)-N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-3-phenylprop-2-enamide
CID 138380557
(E)-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 102001285
3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941530

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide (CID 14965451) is (E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC1CCCCC1O.
What is the InChIKey of (E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide?
The InChIKey is DFAHANWYPSKHEP-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-9-5-4-8-13(14)16-15(18)11-10-12-6-2-1-3-7-12/h1-3,6-7,10-11,13-14,17H,4-5,8-9H2,(H,16,18)/b11-10+.
What are the key properties of (E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide?
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide has a molecular weight of 245.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 14965451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).