(E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide

C19H22N2O2 — CID 110408542

IUPAC(E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide
SMILESCOc1ccc(/C(C)=C/C(=O)NCCCc2cccnc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15(17-7-9-18(23-2)10-8-17)13-19(22)21-12-4-6-16-5-3-11-20-14-16/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,21,22)/b15-13+
InChIKeyXLEHFALLRBMKQO-FYWRMAATSA-N
MW310.40 g/mol
LogP3.24
Rot. Bonds7

About (E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide

(E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide (PubChem CID 110408542) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide
PubChem CID110408542
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide
SMILESCOc1ccc(/C(C)=C/C(=O)NCCCc2cccnc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15(17-7-9-18(23-2)10-8-17)13-19(22)21-12-4-6-16-5-3-11-20-14-16/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,21,22)/b15-13+
InChIKeyXLEHFALLRBMKQO-FYWRMAATSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
(2E,4Z)-5-(3-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
CID 88605091
N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide
CID 110309408
(E)-3-(4-methoxyphenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]but-2-enamide
CID 110305222
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
CID 110607078
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-pyridin-3-ylpropyl)propanamide
CID 110607149
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
(E)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)but-2-enamide
CID 111788938

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide (CID 110408542) is (E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide is COc1ccc(/C(C)=C/C(=O)NCCCc2cccnc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide?
The InChIKey is XLEHFALLRBMKQO-FYWRMAATSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15(17-7-9-18(23-2)10-8-17)13-19(22)21-12-4-6-16-5-3-11-20-14-16/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,21,22)/b15-13+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide has a molecular weight of 310.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide is sourced from PubChem (CID 110408542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).