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

C19H30N2O4 — CID 60502414

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)NCCc1ccc(OC)c(OC)c1)CC1CCOC1
InChIInChI=1S/C19H30N2O4/c1-4-21(12-16-8-10-25-14-16)13-19(22)20-9-7-15-5-6-17(23-2)18(11-15)24-3/h5-6,11,16H,4,7-10,12-14H2,1-3H3,(H,20,22)
InChIKeyLAGBQYHBCDLUNF-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.72
Rot. Bonds10

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide (PubChem CID 60502414) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
PubChem CID60502414
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)NCCc1ccc(OC)c(OC)c1)CC1CCOC1
InChIInChI=1S/C19H30N2O4/c1-4-21(12-16-8-10-25-14-16)13-19(22)20-9-7-15-5-6-17(23-2)18(11-15)24-3/h5-6,11,16H,4,7-10,12-14H2,1-3H3,(H,20,22)
InChIKeyLAGBQYHBCDLUNF-UHFFFAOYSA-N
XLogP1.72
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191422
2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158352
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 32663206
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
CID 60502800
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(oxolan-3-ylmethyl)amino]-N-methylacetamide
CID 25017722
3-[2-(3-methoxy-4-methylphenyl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382264
3-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386585
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113115368
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158865
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide (CID 60502414) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide is CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)CC1CCOC1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide?
The InChIKey is LAGBQYHBCDLUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-4-21(12-16-8-10-25-14-16)13-19(22)20-9-7-15-5-6-17(23-2)18(11-15)24-3/h5-6,11,16H,4,7-10,12-14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide has a molecular weight of 350.46 g/mol, XLogP of 1.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 60502414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).