2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid

C16H24N2O3 — CID 79812535

IUPAC2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid
SMILESCCC(CC)(NCC(=O)NCc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-16(5-2,15(20)21)18-11-14(19)17-10-13-8-6-12(3)7-9-13/h6-9,18H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyUVFCQWACJHRHKQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.84
Rot. Bonds8

About 2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid

2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid (PubChem CID 79812535) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid
PubChem CID79812535
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid
SMILESCCC(CC)(NCC(=O)NCc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-16(5-2,15(20)21)18-11-14(19)17-10-13-8-6-12(3)7-9-13/h6-9,18H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyUVFCQWACJHRHKQ-UHFFFAOYSA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 65264174
2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79790533
N-[(4-methylphenyl)methyl]butanamide
CID 835678
2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992275
2-[(3,5-dimethylphenyl)methylamino]-2-ethylbutanoic acid
CID 79804678
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
2-azido-N-[(4-methylphenyl)methyl]acetamide
CID 52940391
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 108997033
N-[(4-methylphenyl)methyl]but-3-ynamide
CID 164657026
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid (CID 79812535) is 2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid is CCC(CC)(NCC(=O)NCc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid?
The InChIKey is UVFCQWACJHRHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-16(5-2,15(20)21)18-11-14(19)17-10-13-8-6-12(3)7-9-13/h6-9,18H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid?
2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 79812535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).