(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide

C22H23N3O3 — CID 18283783

IUPAC(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide
SMILESCOc1cc(OC)cc(C(NC(=O)/C=C/c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C22H23N3O3/c1-25-12-11-23-22(25)21(17-13-18(27-2)15-19(14-17)28-3)24-20(26)10-9-16-7-5-4-6-8-16/h4-15,21H,1-3H3,(H,24,26)/b10-9+
InChIKeyPUXLIVOQDUGWDU-MDZDMXLPSA-N
MW377.44 g/mol
LogP3.36
Rot. Bonds7

About (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide

(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide (PubChem CID 18283783) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide
PubChem CID18283783
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide
SMILESCOc1cc(OC)cc(C(NC(=O)/C=C/c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C22H23N3O3/c1-25-12-11-23-22(25)21(17-13-18(27-2)15-19(14-17)28-3)24-20(26)10-9-16-7-5-4-6-8-16/h4-15,21H,1-3H3,(H,24,26)/b10-9+
InChIKeyPUXLIVOQDUGWDU-MDZDMXLPSA-N
XLogP3.36
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,5-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]prop-2-enamide
CID 24523288
(E)-3-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 24625709
(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 18292461
(E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide
CID 24660535
2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55457676
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
tert-butyl N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamate
CID 95318789
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 55454273
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55942208
(E)-3-(5-bromo-2-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 55454127

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide (CID 18283783) is (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide is COc1cc(OC)cc(C(NC(=O)/C=C/c2ccccc2)c2nccn2C)c1.
What is the InChIKey of (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide?
The InChIKey is PUXLIVOQDUGWDU-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25-12-11-23-22(25)21(17-13-18(27-2)15-19(14-17)28-3)24-20(26)10-9-16-7-5-4-6-8-16/h4-15,21H,1-3H3,(H,24,26)/b10-9+.
What are the key properties of (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide?
(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide has a molecular weight of 377.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 18283783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).