(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide

C16H21NO2 — CID 83202117

IUPAC(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NOC2CCCC2)cc1
InChIInChI=1S/C16H21NO2/c1-2-13-7-9-14(10-8-13)11-12-16(18)17-19-15-5-3-4-6-15/h7-12,15H,2-6H2,1H3,(H,17,18)/b12-11+
InChIKeyUOFFSOURPXUBFP-VAWYXSNFSA-N
MW259.35 g/mol
LogP3.25
Rot. Bonds5

About (E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide

(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide (PubChem CID 83202117) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide
PubChem CID83202117
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NOC2CCCC2)cc1
InChIInChI=1S/C16H21NO2/c1-2-13-7-9-14(10-8-13)11-12-16(18)17-19-15-5-3-4-6-15/h7-12,15H,2-6H2,1H3,(H,17,18)/b12-11+
InChIKeyUOFFSOURPXUBFP-VAWYXSNFSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79676613
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
CID 83203007
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 60817403
methyl (2R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]propanoate
CID 113257899
(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide
CID 83202500
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 82042424
(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide
CID 83202528
methyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 43407215

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide (CID 83202117) is (E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide is CCc1ccc(/C=C/C(=O)NOC2CCCC2)cc1.
What is the InChIKey of (E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide?
The InChIKey is UOFFSOURPXUBFP-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-13-7-9-14(10-8-13)11-12-16(18)17-19-15-5-3-4-6-15/h7-12,15H,2-6H2,1H3,(H,17,18)/b12-11+.
What are the key properties of (E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide?
(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide has a molecular weight of 259.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 83202117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).