(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide

C13H15NO2 — CID 874267

IUPAC(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2CC2)cc1
InChIInChI=1S/C13H15NO2/c1-16-12-7-2-10(3-8-12)4-9-13(15)14-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,14,15)/b9-4+
InChIKeyLQNIOSDGZLEAAL-RUDMXATFSA-N
MW217.27 g/mol
LogP1.99
Rot. Bonds4

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

(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 874267) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID874267
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2CC2)cc1
InChIInChI=1S/C13H15NO2/c1-16-12-7-2-10(3-8-12)4-9-13(15)14-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,14,15)/b9-4+
InChIKeyLQNIOSDGZLEAAL-RUDMXATFSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.99
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-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 77104857
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 103866686
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507
N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 76941549
N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methoxyphenyl)prop-2-enamide
CID 87568008
(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methoxyphenyl)prop-2-enamide
CID 25266613
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
(E)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6952792
(E)-3-(4-methoxyphenyl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]prop-2-enamide
CID 117054585

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide (CID 874267) is (E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NC2CC2)cc1.
What is the InChIKey of (E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is LQNIOSDGZLEAAL-RUDMXATFSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-12-7-2-10(3-8-12)4-9-13(15)14-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,14,15)/b9-4+.
What are the key properties of (E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 217.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 874267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).