2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C19H28N2O5 — CID 113165315

IUPAC2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CCN(CC(=O)NCC2CCCO2)C(C)=O)cc1OC
InChIInChI=1S/C19H28N2O5/c1-14(22)21(13-19(23)20-12-16-5-4-10-26-16)9-8-15-6-7-17(24-2)18(11-15)25-3/h6-7,11,16H,4-5,8-10,12-13H2,1-3H3,(H,20,23)
InChIKeyVJIYNUNFWKPZIK-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.39
Rot. Bonds9

About 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113165315) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113165315
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CCN(CC(=O)NCC2CCCO2)C(C)=O)cc1OC
InChIInChI=1S/C19H28N2O5/c1-14(22)21(13-19(23)20-12-16-5-4-10-26-16)9-8-15-6-7-17(24-2)18(11-15)25-3/h6-7,11,16H,4-5,8-10,12-13H2,1-3H3,(H,20,23)
InChIKeyVJIYNUNFWKPZIK-UHFFFAOYSA-N
XLogP1.39
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113121874
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165554
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
3-(N-acetyl-3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113130194
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165954
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034
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
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7966220
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 113165315) is 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(CCN(CC(=O)NCC2CCCO2)C(C)=O)cc1OC.
What is the InChIKey of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VJIYNUNFWKPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-14(22)21(13-19(23)20-12-16-5-4-10-26-16)9-8-15-6-7-17(24-2)18(11-15)25-3/h6-7,11,16H,4-5,8-10,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 364.44 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113165315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).