2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid

C15H21NO3 — CID 55233997

IUPAC2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid
SMILESCCc1ccc(C(CC)(C(=O)O)N(C)C(C)=O)cc1
InChIInChI=1S/C15H21NO3/c1-5-12-7-9-13(10-8-12)15(6-2,14(18)19)16(4)11(3)17/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyOXSOPOKUMIEQLU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds5

About 2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid

2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid (PubChem CID 55233997) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid
PubChem CID55233997
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid
SMILESCCc1ccc(C(CC)(C(=O)O)N(C)C(C)=O)cc1
InChIInChI=1S/C15H21NO3/c1-5-12-7-9-13(10-8-12)15(6-2,14(18)19)16(4)11(3)17/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyOXSOPOKUMIEQLU-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-2-phenylbutanoic acid
CID 63701928
2-[acetyl(methyl)amino]-2-(3-fluorophenyl)butanoic acid
CID 114872016
2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 63703764
1,3-bis[3-(4-ethylphenyl)pentan-3-yl]urea
CID 15589244
2-(dichloroamino)-2-phenylbutanoic acid
CID 87554429
2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid
CID 114992341
2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid
CID 43754189
4-(4-ethyl-N-methylanilino)-2,2-dimethylbutanoic acid
CID 65248225
3-(4-ethylphenyl)pentan-3-ol
CID 62543234
2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 55232403
4-ethylphenol;4-hydroxybenzoic acid
CID 158740772
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid (CID 55233997) is 2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid is CCc1ccc(C(CC)(C(=O)O)N(C)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid?
The InChIKey is OXSOPOKUMIEQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-12-7-9-13(10-8-12)15(6-2,14(18)19)16(4)11(3)17/h7-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid?
2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid is sourced from PubChem (CID 55233997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).