3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid

C15H22N2O4 — CID 62851901

IUPAC3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-17(9-11(2)15(19)20)10-14(18)16-12-6-5-7-13(8-12)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyYXIQXSQGTZKILR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.68
Rot. Bonds8

About 3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid

3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 62851901) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID62851901
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-17(9-11(2)15(19)20)10-14(18)16-12-6-5-7-13(8-12)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyYXIQXSQGTZKILR-UHFFFAOYSA-N
XLogP1.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78831827
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025824
2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 46594882
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid (CID 62851901) is 3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid is CCN(CC(=O)Nc1cccc(OC)c1)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is YXIQXSQGTZKILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(9-11(2)15(19)20)10-14(18)16-12-6-5-7-13(8-12)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62851901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).