2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid

C16H24N2O3 — CID 79815199

IUPAC2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NCCc1cccc(C)c1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-16(5-2,14(19)20)18-15(21)17-10-9-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyLLZROJZYSBMOAK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.48
Rot. Bonds7

About 2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid

2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid (PubChem CID 79815199) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid
PubChem CID79815199
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NCCc1cccc(C)c1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-16(5-2,14(19)20)18-15(21)17-10-9-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyLLZROJZYSBMOAK-UHFFFAOYSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62312850
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 79804719
2-[4-[2-(3-methylphenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108900747
2,3-dimethyl-4-[2-(3-methylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 76992295
2-bromo-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62855844
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
1-[[2-(3-methylphenyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446754
4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62313412

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid (CID 79815199) is 2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid is CCC(CC)(NC(=O)NCCc1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid?
The InChIKey is LLZROJZYSBMOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-16(5-2,14(19)20)18-15(21)17-10-9-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid?
2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 79815199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).