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

C15H22N2O4 — CID 62827296

IUPAC3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid
SMILESCCN(CC(=O)Nc1ccccc1OC)C(C)CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-17(11(2)9-15(19)20)10-14(18)16-12-7-5-6-8-13(12)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyLRAKFNXPJZYLLP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.82
Rot. Bonds8

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

3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid (PubChem CID 62827296) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid
PubChem CID62827296
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid
SMILESCCN(CC(=O)Nc1ccccc1OC)C(C)CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-17(11(2)9-15(19)20)10-14(18)16-12-7-5-6-8-13(12)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyLRAKFNXPJZYLLP-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-bromoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62827479
3-[[2-(2-cyanoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62826763
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
CID 112769408
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
(2R)-2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119267268
N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112798835
N-(2,5-dichlorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769409
(2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 98306609
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid (CID 62827296) is 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid is CCN(CC(=O)Nc1ccccc1OC)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid?
The InChIKey is LRAKFNXPJZYLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(11(2)9-15(19)20)10-14(18)16-12-7-5-6-8-13(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-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid?
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 62827296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).