2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid

C16H24N2O3 — CID 79815013

IUPAC2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NC(C)c1ccccc1C)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-5-16(6-2,14(19)20)18-15(21)17-12(4)13-10-8-7-9-11(13)3/h7-10,12H,5-6H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyKSIUHTRWDRGYOD-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.00
Rot. Bonds6

About 2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid

2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid (PubChem CID 79815013) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid
PubChem CID79815013
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NC(C)c1ccccc1C)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-5-16(6-2,14(19)20)18-15(21)17-12(4)13-10-8-7-9-11(13)3/h7-10,12H,5-6H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyKSIUHTRWDRGYOD-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 64702247
2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 79803748
2-hydroxy-3-[1-(2-methylphenyl)ethylcarbamoylamino]propanoic acid
CID 66167363
2-[1-(3-chlorophenyl)ethylcarbamoylamino]-2-ethylbutanoic acid
CID 79815010
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
(2S)-2-hydroxy-4-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 107839041
2-acetamido-2-ethylbutanoic acid;1,2,3-trimethylbenzene
CID 67885235
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
3,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81373369
1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 86993436
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid (CID 79815013) is 2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid is CCC(CC)(NC(=O)NC(C)c1ccccc1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid?
The InChIKey is KSIUHTRWDRGYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-16(6-2,14(19)20)18-15(21)17-12(4)13-10-8-7-9-11(13)3/h7-10,12H,5-6H2,1-4H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid?
2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 79815013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).