(E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide

C19H25NO3 — CID 167901824

IUPAC(E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(OC2CCCCC2)c1)NC1CC(O)C1
InChIInChI=1S/C19H25NO3/c21-16-12-15(13-16)20-19(22)10-9-14-5-4-8-18(11-14)23-17-6-2-1-3-7-17/h4-5,8-11,15-17,21H,1-3,6-7,12-13H2,(H,20,22)/b10-9+
InChIKeyOWDXQQNRPYJDHO-MDZDMXLPSA-N
MW315.41 g/mol
LogP3.05
Rot. Bonds5

About (E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide

(E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide (PubChem CID 167901824) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
PubChem CID167901824
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(OC2CCCCC2)c1)NC1CC(O)C1
InChIInChI=1S/C19H25NO3/c21-16-12-15(13-16)20-19(22)10-9-14-5-4-8-18(11-14)23-17-6-2-1-3-7-17/h4-5,8-11,15-17,21H,1-3,6-7,12-13H2,(H,20,22)/b10-9+
InChIKeyOWDXQQNRPYJDHO-MDZDMXLPSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
CID 27396979
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507
3-(3-cyclopentyloxyphenyl)-N-(2-methylsulfinylethyl)prop-2-enamide
CID 72693317
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 55564049
N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 77104857
3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 74880395
3-[3-(4-methylcyclohexyl)oxyphenyl]prop-2-enoic acid
CID 77052872
(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 43389280
3-(4-bromophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109962
3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941453

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide (CID 167901824) is (E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide is O=C(/C=C/c1cccc(OC2CCCCC2)c1)NC1CC(O)C1.
What is the InChIKey of (E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The InChIKey is OWDXQQNRPYJDHO-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H25NO3/c21-16-12-15(13-16)20-19(22)10-9-14-5-4-8-18(11-14)23-17-6-2-1-3-7-17/h4-5,8-11,15-17,21H,1-3,6-7,12-13H2,(H,20,22)/b10-9+.
What are the key properties of (E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
(E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide has a molecular weight of 315.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide is sourced from PubChem (CID 167901824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).