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

C13H15NO2 — CID 78488507

IUPACN-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)NC2CC2)c1
InChIInChI=1S/C13H15NO2/c1-16-12-4-2-3-10(9-12)5-8-13(15)14-11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,14,15)
InChIKeyVDMCCKULTIESEX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.99
Rot. Bonds4

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

N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 78488507) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID78488507
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)NC2CC2)c1
InChIInChI=1S/C13H15NO2/c1-16-12-4-2-3-10(9-12)5-8-13(15)14-11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,14,15)
InChIKeyVDMCCKULTIESEX-UHFFFAOYSA-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

(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
CID 27396979
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 51281195
(E)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 110903601
(E)-3-(3-methoxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2710172
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 78911756
(E)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 86963326
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 74880395
(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 43389280
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide (CID 78488507) is N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(C=CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is VDMCCKULTIESEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-12-4-2-3-10(9-12)5-8-13(15)14-11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide?
N-cyclopropyl-3-(3-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 N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 78488507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).