2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide

C25H27N3O3 — CID 55884526

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c(OC)c1
InChIInChI=1S/C25H27N3O3/c1-3-6-18-8-13-22(23(15-18)30-2)31-17-25(29)26-20-11-9-19(10-12-20)21-16-28-14-5-4-7-24(28)27-21/h3,8-13,15-16H,1,4-7,14,17H2,2H3,(H,26,29)
InChIKeyRXSLZUHQOIMNNJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.64
Rot. Bonds8

About 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide

2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (PubChem CID 55884526) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
PubChem CID55884526
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c(OC)c1
InChIInChI=1S/C25H27N3O3/c1-3-6-18-8-13-22(23(15-18)30-2)31-17-25(29)26-20-11-9-19(10-12-20)21-16-28-14-5-4-7-24(28)27-21/h3,8-13,15-16H,1,4-7,14,17H2,2H3,(H,26,29)
InChIKeyRXSLZUHQOIMNNJ-UHFFFAOYSA-N
XLogP4.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 42394257
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24683432
S-[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529727
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813
2-(4-formyl-2-methoxyphenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 9468345
N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30779256
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 26086828
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
[2-(4-cyanoanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804200

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (CID 55884526) is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide is C=CCc1ccc(OCC(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The InChIKey is RXSLZUHQOIMNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-3-6-18-8-13-22(23(15-18)30-2)31-17-25(29)26-20-11-9-19(10-12-20)21-16-28-14-5-4-7-24(28)27-21/h3,8-13,15-16H,1,4-7,14,17H2,2H3,(H,26,29).
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 55884526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).