(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide

C19H21NO3 — CID 155112281

IUPAC(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILESCOc1cccc(CCNC(=O)/C=C/c2ccccc2)c1OC
InChIInChI=1S/C19H21NO3/c1-22-17-10-6-9-16(19(17)23-2)13-14-20-18(21)12-11-15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3,(H,20,21)/b12-11+
InChIKeyDJZWFDRZENPXJR-VAWYXSNFSA-N
MW311.38 g/mol
LogP3.08
Rot. Bonds7

About (E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide (PubChem CID 155112281) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide
PubChem CID155112281
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILESCOc1cccc(CCNC(=O)/C=C/c2ccccc2)c1OC
InChIInChI=1S/C19H21NO3/c1-22-17-10-6-9-16(19(17)23-2)13-14-20-18(21)12-11-15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3,(H,20,21)/b12-11+
InChIKeyDJZWFDRZENPXJR-VAWYXSNFSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
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-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-4,4,4-trifluorobut-2-enamide
CID 167855539
(E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
CID 46590717
(E)-N-[2-(2-acetyl-7-methoxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 102505891
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 55338622
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
[(1S)-1-(2,3-dimethoxyphenyl)-2-(3-phenylprop-2-enoylamino)ethyl] 3-phenylprop-2-enoate
CID 130362657
(E)-N-[2-(2-methoxyphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26778092
(E)-N-[2-(N-methylanilino)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24560393
3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 4796977
(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 115342604
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9270227

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide (CID 155112281) is (E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide is COc1cccc(CCNC(=O)/C=C/c2ccccc2)c1OC.
What is the InChIKey of (E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is DJZWFDRZENPXJR-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-17-10-6-9-16(19(17)23-2)13-14-20-18(21)12-11-15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3,(H,20,21)/b12-11+.
What are the key properties of (E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 155112281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).