2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid

C18H21NO2 — CID 71564937

IUPAC2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid
SMILESCCc1cccc(NC(C)(Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C18H21NO2/c1-3-14-10-7-11-16(12-14)19-18(2,17(20)21)13-15-8-5-4-6-9-15/h4-12,19H,3,13H2,1-2H3,(H,20,21)
InChIKeyFAMNKUVPSZUGKM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.75
Rot. Bonds6

About 2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid

2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid (PubChem CID 71564937) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid
PubChem CID71564937
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid
SMILESCCc1cccc(NC(C)(Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C18H21NO2/c1-3-14-10-7-11-16(12-14)19-18(2,17(20)21)13-15-8-5-4-6-9-15/h4-12,19H,3,13H2,1-2H3,(H,20,21)
InChIKeyFAMNKUVPSZUGKM-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 114832037
3-anilino-3-methyl-4-phenylbutan-2-one
CID 131859757
2-(3-fluoro-5-methylanilino)-2-methyl-3-phenylpropanoic acid
CID 79044451
2-anilino-2-methyl-3-phenylpropanamide
CID 55151227
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
2-anilino-2-methylpentanoic acid
CID 60992039
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid
CID 60990853
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
2-methyl-2-(3-methylanilino)nonanoic acid
CID 60994073
2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 114994953

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid (CID 71564937) is 2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid is CCc1cccc(NC(C)(Cc2ccccc2)C(=O)O)c1.
What is the InChIKey of 2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid?
The InChIKey is FAMNKUVPSZUGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-14-10-7-11-16(12-14)19-18(2,17(20)21)13-15-8-5-4-6-9-15/h4-12,19H,3,13H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid?
2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 71564937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).