(E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

C15H19NO3 — CID 86816342

IUPAC(E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCC2CC2)cc1O
InChIInChI=1S/C15H19NO3/c1-19-14-6-4-12(10-13(14)17)5-7-15(18)16-9-8-11-2-3-11/h4-7,10-11,17H,2-3,8-9H2,1H3,(H,16,18)/b7-5+
InChIKeyRYOPOPJKLPMWKH-FNORWQNLSA-N
MW261.32 g/mol
LogP2.33
Rot. Bonds6

About (E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

(E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 86816342) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
PubChem CID86816342
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCC2CC2)cc1O
InChIInChI=1S/C15H19NO3/c1-19-14-6-4-12(10-13(14)17)5-7-15(18)16-9-8-11-2-3-11/h4-7,10-11,17H,2-3,8-9H2,1H3,(H,16,18)/b7-5+
InChIKeyRYOPOPJKLPMWKH-FNORWQNLSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.33
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-(3-hydroxy-4-methoxyphenyl)-N-[2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 155559259
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 23625459
(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 15125273
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
CID 126801996
N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1122315
(Z)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 23276568
(E)-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 11209675
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[4-[3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]propylamino]butyl]prop-2-enamide
CID 100917622
(E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 51351495
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (CID 86816342) is (E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCC2CC2)cc1O.
What is the InChIKey of (E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is RYOPOPJKLPMWKH-FNORWQNLSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-14-6-4-12(10-13(14)17)5-7-15(18)16-9-8-11-2-3-11/h4-7,10-11,17H,2-3,8-9H2,1H3,(H,16,18)/b7-5+.
What are the key properties of (E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
(E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 86816342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).