(E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide

C24H25N3O3 — CID 55985412

IUPAC(E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCOCCN(Cc1ccccn1)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C24H25N3O3/c1-29-17-16-27(18-21-6-2-4-14-25-21)24(28)13-10-20-8-11-23(12-9-20)30-19-22-7-3-5-15-26-22/h2-15H,16-19H2,1H3/b13-10+
InChIKeyXETZVYMDYGTZFD-JLHYYAGUSA-N
MW403.48 g/mol
LogP3.74
Rot. Bonds10

About (E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 55985412) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID55985412
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCOCCN(Cc1ccccn1)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C24H25N3O3/c1-29-17-16-27(18-21-6-2-4-14-25-21)24(28)13-10-20-8-11-23(12-9-20)30-19-22-7-3-5-15-26-22/h2-15H,16-19H2,1H3/b13-10+
InChIKeyXETZVYMDYGTZFD-JLHYYAGUSA-N
XLogP3.74
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55979626
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
(E)-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 56534468
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
(4-methoxyphenyl)methyl (E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 98716837
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55618491
(E)-1-(4-methylsulfanylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-en-1-one
CID 55771914
[2-(methylamino)-2-oxoethyl] (Z)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 94392752
(E)-N-(4-ethoxyphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55616869
4-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993144

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 55985412) is (E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide is COCCN(Cc1ccccn1)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is XETZVYMDYGTZFD-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-17-16-27(18-21-6-2-4-14-25-21)24(28)13-10-20-8-11-23(12-9-20)30-19-22-7-3-5-15-26-22/h2-15H,16-19H2,1H3/b13-10+.
What are the key properties of (E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 403.48 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 55985412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).