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

C20H24N2O4 — CID 24608300

IUPAC2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1OCC(=O)NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-12-8-9-15(10-13(12)2)14(3)22-18(23)11-26-19-16(20(21)24)6-5-7-17(19)25-4/h5-10,14H,11H2,1-4H3,(H2,21,24)(H,22,23)
InChIKeyHAPDBTTXBOADMQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.67
Rot. Bonds7

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

2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide (PubChem CID 24608300) 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]-3-methoxybenzamide.

Molecular Properties

Compound Name2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide
PubChem CID24608300
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1OCC(=O)NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-12-8-9-15(10-13(12)2)14(3)22-18(23)11-26-19-16(20(21)24)6-5-7-17(19)25-4/h5-10,14H,11H2,1-4H3,(H2,21,24)(H,22,23)
InChIKeyHAPDBTTXBOADMQ-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

2-(2,6-dimethoxyphenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 46697439
2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 24527523
3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 42904343
2-(2-bromophenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7466805
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 8963294
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-phenoxybenzoate
CID 7760656
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775527
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-bromobenzoate
CID 7775249
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 95181228

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide?
The IUPAC name of 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide (CID 24608300) is 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide.
What is the SMILES notation for 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide?
The canonical SMILES for 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide is COc1cccc(C(N)=O)c1OCC(=O)NC(C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide?
The InChIKey is HAPDBTTXBOADMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-8-9-15(10-13(12)2)14(3)22-18(23)11-26-19-16(20(21)24)6-5-7-17(19)25-4/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]-3-methoxybenzamide?
2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-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]-3-methoxybenzamide is sourced from PubChem (CID 24608300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).