3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide

C20H23N3O3 — CID 55900018

IUPAC3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)CC2CCCO2)c1
InChIInChI=1S/C20H23N3O3/c1-15(24)22-18-7-2-6-17(11-18)20(25)23(14-19-8-4-10-26-19)13-16-5-3-9-21-12-16/h2-3,5-7,9,11-12,19H,4,8,10,13-14H2,1H3,(H,22,24)
InChIKeyLERRGKUMYPEQLF-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.86
Rot. Bonds6

About 3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide

3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 55900018) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID55900018
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)CC2CCCO2)c1
InChIInChI=1S/C20H23N3O3/c1-15(24)22-18-7-2-6-17(11-18)20(25)23(14-19-8-4-10-26-19)13-16-5-3-9-21-12-16/h2-3,5-7,9,11-12,19H,4,8,10,13-14H2,1H3,(H,22,24)
InChIKeyLERRGKUMYPEQLF-UHFFFAOYSA-N
XLogP2.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 55899400
3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 9120104
N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide
CID 55834532
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
(E)-3-(4-acetamidophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 55900521
3-(3-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4522378
(2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 95153329
(2R)-N-[3-[[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 95153327
2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 99582902
3-(3-chloro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55833254
N-benzyl-3-(3-imidazol-1-ylpropanoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95581974

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide (CID 55900018) is 3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide is CC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)CC2CCCO2)c1.
What is the InChIKey of 3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LERRGKUMYPEQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)22-18-7-2-6-17(11-18)20(25)23(14-19-8-4-10-26-19)13-16-5-3-9-21-12-16/h2-3,5-7,9,11-12,19H,4,8,10,13-14H2,1H3,(H,22,24).
What are the key properties of 3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide?
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 55900018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).