(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide

C20H24N2O4 — CID 94178991

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NCc2cccnc2OC(C)C)c1
InChIInChI=1S/C20H24N2O4/c1-14(2)26-20-16(6-5-11-21-20)13-22-19(23)10-7-15-12-17(24-3)8-9-18(15)25-4/h5-12,14H,13H2,1-4H3,(H,22,23)/b10-7+
InChIKeyAONVOCSWFWCMGY-JXMROGBWSA-N
MW356.42 g/mol
LogP3.22
Rot. Bonds8

About (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 94178991) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
PubChem CID94178991
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NCc2cccnc2OC(C)C)c1
InChIInChI=1S/C20H24N2O4/c1-14(2)26-20-16(6-5-11-21-20)13-22-19(23)10-7-15-12-17(24-3)8-9-18(15)25-4/h5-12,14H,13H2,1-4H3,(H,22,23)/b10-7+
InChIKeyAONVOCSWFWCMGY-JXMROGBWSA-N
XLogP3.22
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide with MolForge

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 55742340
N-[4-[[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55509565
(E)-3-(2,5-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058064
(E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide
CID 46585283
(E)-N-[(2-bromo-5-fluorophenyl)methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 98875452
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 71982662
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 91944153
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide
CID 25337635
(E)-3-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47099182
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide (CID 94178991) is (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)NCc2cccnc2OC(C)C)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is AONVOCSWFWCMGY-JXMROGBWSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(2)26-20-16(6-5-11-21-20)13-22-19(23)10-7-15-12-17(24-3)8-9-18(15)25-4/h5-12,14H,13H2,1-4H3,(H,22,23)/b10-7+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 356.42 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 94178991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).