2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide

C20H22N2O4 — CID 91761671

IUPAC2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NC(Cc1ccncc1)C1CC(O)C1
InChIInChI=1S/C20H22N2O4/c23-16-10-15(11-16)17(7-13-3-5-21-6-4-13)22-20(24)9-14-1-2-18-19(8-14)26-12-25-18/h1-6,8,15-17,23H,7,9-12H2,(H,22,24)
InChIKeyPKTUJLFODXNOJS-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.85
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide (PubChem CID 91761671) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide
PubChem CID91761671
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NC(Cc1ccncc1)C1CC(O)C1
InChIInChI=1S/C20H22N2O4/c23-16-10-15(11-16)17(7-13-3-5-21-6-4-13)22-20(24)9-14-1-2-18-19(8-14)26-12-25-18/h1-6,8,15-17,23H,7,9-12H2,(H,22,24)
InChIKeyPKTUJLFODXNOJS-UHFFFAOYSA-N
XLogP1.85
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide
CID 91764166
3-(2-fluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]propanamide
CID 91766999
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348408
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide
CID 91773704
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 41107723
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-(1,3-benzodioxol-5-ylmethyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109022575
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
2-(1,3-benzodioxol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 45284628
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-methoxyacetamide
CID 91794448

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide (CID 91761671) is 2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide is O=C(Cc1ccc2c(c1)OCO2)NC(Cc1ccncc1)C1CC(O)C1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide?
The InChIKey is PKTUJLFODXNOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-16-10-15(11-16)17(7-13-3-5-21-6-4-13)22-20(24)9-14-1-2-18-19(8-14)26-12-25-18/h1-6,8,15-17,23H,7,9-12H2,(H,22,24).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 91761671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).