2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid

C16H24N2O3 — CID 60833576

IUPAC2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
SMILESCCc1ccc(NC(=O)CN(CC(=O)O)C(C)CC)cc1
InChIInChI=1S/C16H24N2O3/c1-4-12(3)18(11-16(20)21)10-15(19)17-14-8-6-13(5-2)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyAIMXLPXYBJQYSJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.37
Rot. Bonds8

About 2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid

2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 60833576) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
PubChem CID60833576
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
SMILESCCc1ccc(NC(=O)CN(CC(=O)O)C(C)CC)cc1
InChIInChI=1S/C16H24N2O3/c1-4-12(3)18(11-16(20)21)10-15(19)17-14-8-6-13(5-2)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyAIMXLPXYBJQYSJ-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60832948
2-[butan-2-yl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834710
N-(4-ethylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060790
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
CID 43656684
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
2-[butan-2-yl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60834067
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013632
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid (CID 60833576) is 2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid is CCc1ccc(NC(=O)CN(CC(=O)O)C(C)CC)cc1.
What is the InChIKey of 2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is AIMXLPXYBJQYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-12(3)18(11-16(20)21)10-15(19)17-14-8-6-13(5-2)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid?
2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 60833576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).