3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C16H23NO4 — CID 30392326

IUPAC3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1OC
InChIInChI=1S/C16H23NO4/c1-19-14-7-5-12(10-15(14)20-2)6-8-16(18)17-11-13-4-3-9-21-13/h5,7,10,13H,3-4,6,8-9,11H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyNACGSELADZXOKX-ZDUSSCGKSA-N
MW293.36 g/mol
LogP1.93
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 30392326) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID30392326
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1OC
InChIInChI=1S/C16H23NO4/c1-19-14-7-5-12(10-15(14)20-2)6-8-16(18)17-11-13-4-3-9-21-13/h5,7,10,13H,3-4,6,8-9,11H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyNACGSELADZXOKX-ZDUSSCGKSA-N
XLogP1.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113121874
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165315
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165554
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3,4-dimethoxybenzoate
CID 8011905
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113130194
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019364
1-[(3,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide
CID 7301168

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 30392326) is 3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is COc1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is NACGSELADZXOKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-14-7-5-12(10-15(14)20-2)6-8-16(18)17-11-13-4-3-9-21-13/h5,7,10,13H,3-4,6,8-9,11H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 293.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 30392326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).