2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide

C20H24N2O4 — CID 24527523

IUPAC2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)NC(C)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H24N2O4/c1-12-5-6-15(9-13(12)2)14(3)22-19(23)11-26-18-10-16(25-4)7-8-17(18)20(21)24/h5-10,14H,11H2,1-4H3,(H2,21,24)(H,22,23)
InChIKeySUNKDACNIMPHOB-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.67
Rot. Bonds7

About 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide

2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide (PubChem CID 24527523) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide
PubChem CID24527523
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)NC(C)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H24N2O4/c1-12-5-6-15(9-13(12)2)14(3)22-19(23)11-26-18-10-16(25-4)7-8-17(18)20(21)24/h5-10,14H,11H2,1-4H3,(H2,21,24)(H,22,23)
InChIKeySUNKDACNIMPHOB-UHFFFAOYSA-N
XLogP2.67
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]benzamide
CID 18085849
2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide
CID 24608300
2-(2,6-dimethoxyphenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 46697439
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
2-(2-bromophenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7466805
2-(3,4-difluorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 24608166
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678944
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788075
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 7726595
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567361
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907978

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide?
The IUPAC name of 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide (CID 24527523) is 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCC(=O)NC(C)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide?
The InChIKey is SUNKDACNIMPHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-5-6-15(9-13(12)2)14(3)22-19(23)11-26-18-10-16(25-4)7-8-17(18)20(21)24/h5-10,14H,11H2,1-4H3,(H2,21,24)(H,22,23).
What are the key properties of 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide?
2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide is sourced from PubChem (CID 24527523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).