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

C16H23NO3 — CID 63701433

IUPAC2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid
SMILESCCN(C(C)=O)C(C)(C(=O)O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-6-17(12(4)18)16(5,15(19)20)14-9-7-13(8-10-14)11(2)3/h7-11H,6H2,1-5H3,(H,19,20)
InChIKeyQHPDRTOBANZLIX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.98
Rot. Bonds5

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

2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid (PubChem CID 63701433) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid
PubChem CID63701433
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid
SMILESCCN(C(C)=O)C(C)(C(=O)O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-6-17(12(4)18)16(5,15(19)20)14-9-7-13(8-10-14)11(2)3/h7-11H,6H2,1-5H3,(H,19,20)
InChIKeyQHPDRTOBANZLIX-UHFFFAOYSA-N
XLogP2.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 63703764
2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63701939
2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 63702442
2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 63701432
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 113235750
2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid
CID 63703799
2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
CID 43803570
2-[acetyl(ethyl)amino]-2-naphthalen-1-ylpropanoic acid
CID 63701697
2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 82238470
2-[acetyl(propyl)amino]-2-(3,4-difluorophenyl)propanoic acid
CID 63701384
4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid
CID 65297789

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid (CID 63701433) is 2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid is CCN(C(C)=O)C(C)(C(=O)O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid?
The InChIKey is QHPDRTOBANZLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-17(12(4)18)16(5,15(19)20)14-9-7-13(8-10-14)11(2)3/h7-11H,6H2,1-5H3,(H,19,20).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid?
2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.98, 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-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 63701433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).