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

C16H21NO2 — CID 62361057

IUPAC(E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NC1CCCCC1O
InChIInChI=1S/C16H21NO2/c1-12-6-2-3-7-13(12)10-11-16(19)17-14-8-4-5-9-15(14)18/h2-3,6-7,10-11,14-15,18H,4-5,8-9H2,1H3,(H,17,19)/b11-10+
InChIKeyIGTLKDNQOBRXJK-ZHACJKMWSA-N
MW259.35 g/mol
LogP2.43
Rot. Bonds3

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

(E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 62361057) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID62361057
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)NC1CCCCC1O
InChIInChI=1S/C16H21NO2/c1-12-6-2-3-7-13(12)10-11-16(19)17-14-8-4-5-9-15(14)18/h2-3,6-7,10-11,14-15,18H,4-5,8-9H2,1H3,(H,17,19)/b11-10+
InChIKeyIGTLKDNQOBRXJK-ZHACJKMWSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide (CID 62361057) is (E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide is Cc1ccccc1/C=C/C(=O)NC1CCCCC1O.
What is the InChIKey of (E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is IGTLKDNQOBRXJK-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-6-2-3-7-13(12)10-11-16(19)17-14-8-4-5-9-15(14)18/h2-3,6-7,10-11,14-15,18H,4-5,8-9H2,1H3,(H,17,19)/b11-10+.
What are the key properties of (E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide?
(E)-N-(2-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-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 62361057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).