N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide

C18H16N2O3 — CID 3516334

IUPACN-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(C#N)cc2)c(OC)c1
InChIInChI=1S/C18H16N2O3/c1-22-16-9-5-14(17(11-16)23-2)6-10-18(21)20-15-7-3-13(12-19)4-8-15/h3-11H,1-2H3,(H,20,21)
InChIKeyHSZXTGIBVNRCMS-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.23
Rot. Bonds5

About N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide

N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 3516334) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
PubChem CID3516334
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(C#N)cc2)c(OC)c1
InChIInChI=1S/C18H16N2O3/c1-22-16-9-5-14(17(11-16)23-2)6-10-18(21)20-15-7-3-13(12-19)4-8-15/h3-11H,1-2H3,(H,20,21)
InChIKeyHSZXTGIBVNRCMS-UHFFFAOYSA-N
XLogP3.23
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide
CID 33027219
(E)-3-(4-cyanophenyl)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134131212
(E)-N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55532975
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 7749728
(E)-N-(4-cyanophenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 26701108
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 732712
(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9096818
N-[(4-cyanophenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 926956
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7653838
(E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2707623
3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1178404
3-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 29331459

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide (CID 3516334) is N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2ccc(C#N)cc2)c(OC)c1.
What is the InChIKey of N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is HSZXTGIBVNRCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-16-9-5-14(17(11-16)23-2)6-10-18(21)20-15-7-3-13(12-19)4-8-15/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3516334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).