(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide

C16H20N2O3 — CID 134060013

IUPAC(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
SMILESNC(=O)COc1ccc(/C=C/C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H20N2O3/c17-15(19)11-21-14-8-5-12(6-9-14)7-10-16(20)18-13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H2,17,19)(H,18,20)/b10-7+
InChIKeyWYPQEKYQRSACRJ-JXMROGBWSA-N
MW288.35 g/mol
LogP1.62
Rot. Bonds6

About (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide (PubChem CID 134060013) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
PubChem CID134060013
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
SMILESNC(=O)COc1ccc(/C=C/C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H20N2O3/c17-15(19)11-21-14-8-5-12(6-9-14)7-10-16(20)18-13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H2,17,19)(H,18,20)/b10-7+
InChIKeyWYPQEKYQRSACRJ-JXMROGBWSA-N
XLogP1.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.62
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)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 134030162
(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7962251
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-N-(cyclopentylcarbamothioyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227495
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-cyclohexyloxamide
CID 94863520
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
2-[4-[(E)-3-[3-(methylamino)piperidin-1-yl]-3-oxoprop-1-enyl]phenoxy]acetamide
CID 122133625
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 9400445
N-(1-adamantylmethyl)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enamide
CID 76854345
(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide?
The IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide (CID 134060013) is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide is NC(=O)COc1ccc(/C=C/C(=O)NC2CCCC2)cc1.
What is the InChIKey of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide?
The InChIKey is WYPQEKYQRSACRJ-JXMROGBWSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-15(19)11-21-14-8-5-12(6-9-14)7-10-16(20)18-13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H2,17,19)(H,18,20)/b10-7+.
What are the key properties of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide?
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide is sourced from PubChem (CID 134060013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).