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

C16H21NO3 — CID 83203007

IUPAC(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NOC1CCCC1
InChIInChI=1S/C16H21NO3/c1-2-19-15-10-6-3-7-13(15)11-12-16(18)17-20-14-8-4-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,17,18)/b12-11+
InChIKeyMOQIGZIWHREHCB-VAWYXSNFSA-N
MW275.35 g/mol
LogP3.09
Rot. Bonds6

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

(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 83203007) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID83203007
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NOC1CCCC1
InChIInChI=1S/C16H21NO3/c1-2-19-15-10-6-3-7-13(15)11-12-16(18)17-20-14-8-4-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,17,18)/b12-11+
InChIKeyMOQIGZIWHREHCB-VAWYXSNFSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide
CID 83202500
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-3-(2-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227551
(E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide
CID 83202100
(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide
CID 19201438
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 55322242
(E)-3-(2-ethoxyphenyl)-N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide
CID 103279773
(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 114550303
(E)-3-(2-ethoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 51181845

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide (CID 83203007) is (E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NOC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is MOQIGZIWHREHCB-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-19-15-10-6-3-7-13(15)11-12-16(18)17-20-14-8-4-5-9-14/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-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide?
(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 275.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 83203007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).