2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide

C24H27N3O3 — CID 112832914

IUPAC2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
SMILESCCCOc1ccc(OCC(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-2-15-29-21-10-12-22(13-11-21)30-17-23(28)26-19-8-6-18(7-9-19)24-25-16-20-5-3-4-14-27(20)24/h6-13,16H,2-5,14-15,17H2,1H3,(H,26,28)
InChIKeyMTNGHGLUNMKFHZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.69
Rot. Bonds8

About 2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide

2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 112832914) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
PubChem CID112832914
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
SMILESCCCOc1ccc(OCC(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-2-15-29-21-10-12-22(13-11-21)30-17-23(28)26-19-8-6-18(7-9-19)24-25-16-20-5-3-4-14-27(20)24/h6-13,16H,2-5,14-15,17H2,1H3,(H,26,28)
InChIKeyMTNGHGLUNMKFHZ-UHFFFAOYSA-N
XLogP4.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 166190257
2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 112832862
3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833354
4-ethoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833292
2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 75392897
4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide
CID 112832993
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
N-(4-bromophenyl)-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
CID 91889127
N-phenyl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
CID 91889129
2-methyl-3-(methylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 119858470
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 90557220
N-(4-methoxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 4732668

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide (CID 112832914) is 2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide is CCCOc1ccc(OCC(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1.
What is the InChIKey of 2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is MTNGHGLUNMKFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-15-29-21-10-12-22(13-11-21)30-17-23(28)26-19-8-6-18(7-9-19)24-25-16-20-5-3-4-14-27(20)24/h6-13,16H,2-5,14-15,17H2,1H3,(H,26,28).
What are the key properties of 2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide?
2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 112832914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).