2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid

C15H21NO3 — CID 63703764

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

About 2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid

2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid (PubChem CID 63703764) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
PubChem CID63703764
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(C)(C(=O)O)N(CC)C(C)=O)cc1
InChIInChI=1S/C15H21NO3/c1-5-12-7-9-13(10-8-12)15(4,14(18)19)16(6-2)11(3)17/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyNXWMKIMGZYCMOW-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(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63701939
2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid
CID 63701433
2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 55232403
2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 63702442
2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid
CID 63705343
2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 63701432
2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 113235750
2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
CID 43803570
2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid
CID 55233997
2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid
CID 63701697
2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 82238470
3-(diethylamino)-3-(4-ethylphenyl)butanoic acid
CID 64527978

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid (CID 63703764) is 2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid is CCc1ccc(C(C)(C(=O)O)N(CC)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid?
The InChIKey is NXWMKIMGZYCMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-12-7-9-13(10-8-12)15(4,14(18)19)16(6-2)11(3)17/h7-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid?
2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic 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(ethyl)amino]-2-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 63703764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).