(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide

C16H21NO2 — CID 9214408

IUPAC(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NC1CCCC1
InChIInChI=1S/C16H21NO2/c1-2-19-15-10-6-3-7-13(15)11-12-16(18)17-14-8-4-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,17,18)/b12-11+
InChIKeyISWTZQAGQGLJDO-VAWYXSNFSA-N
MW259.35 g/mol
LogP3.16
Rot. Bonds5

About (E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide

(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 9214408) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID9214408
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NC1CCCC1
InChIInChI=1S/C16H21NO2/c1-2-19-15-10-6-3-7-13(15)11-12-16(18)17-14-8-4-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,17,18)/b12-11+
InChIKeyISWTZQAGQGLJDO-VAWYXSNFSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide
CID 19201438
(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 114550303
(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
CID 83203007
[1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 42986018
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8938117
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 55322137
ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542203
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide (CID 9214408) is (E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is ISWTZQAGQGLJDO-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-19-15-10-6-3-7-13(15)11-12-16(18)17-14-8-4-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,17,18)/b12-11+.
What are the key properties of (E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide?
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 259.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9214408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).