3-(ethylamino)-3-(4-phenylphenyl)butanoic acid

C18H21NO2 — CID 65233928

IUPAC3-(ethylamino)-3-(4-phenylphenyl)butanoic acid
SMILESCCNC(C)(CC(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-19-18(2,13-17(20)21)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,19H,3,13H2,1-2H3,(H,20,21)
InChIKeyDBEOUUMDVASMSA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.65
Rot. Bonds6

About 3-(ethylamino)-3-(4-phenylphenyl)butanoic acid

3-(ethylamino)-3-(4-phenylphenyl)butanoic acid (PubChem CID 65233928) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(ethylamino)-3-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-3-(4-phenylphenyl)butanoic acid
PubChem CID65233928
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(ethylamino)-3-(4-phenylphenyl)butanoic acid
SMILESCCNC(C)(CC(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-19-18(2,13-17(20)21)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,19H,3,13H2,1-2H3,(H,20,21)
InChIKeyDBEOUUMDVASMSA-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-3-(4-methylphenyl)butanoic acid
CID 65236813
3-(ethylamino)-3-[4-(trifluoromethyl)phenyl]butanoic acid
CID 65234264
3-(4-ethoxyphenyl)-3-(ethylamino)butanoic acid
CID 65233871
3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 65233979
3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 65234037
3-hydroxy-3-(4-methylsulfanylphenyl)-3-(4-phenylphenyl)propanoic acid
CID 2754443
2-(4-phenylphenyl)-2-(propylamino)propanamide
CID 60795385
methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate
CID 65235254
(3R)-3-(tert-butylsulfinylamino)-3-phenylbutanoic acid
CID 59627207
2-(ethylamino)-2-(4-methylphenyl)propan-1-ol
CID 61048119
3-methyl-3-(3-phenylphenyl)butanoic acid
CID 117389329
methyl 3-chloro-3-(4-phenylphenyl)butanoate
CID 54379979

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(4-phenylphenyl)butanoic acid?
The IUPAC name of 3-(ethylamino)-3-(4-phenylphenyl)butanoic acid (CID 65233928) is 3-(ethylamino)-3-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for 3-(ethylamino)-3-(4-phenylphenyl)butanoic acid?
The canonical SMILES for 3-(ethylamino)-3-(4-phenylphenyl)butanoic acid is CCNC(C)(CC(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(ethylamino)-3-(4-phenylphenyl)butanoic acid?
The InChIKey is DBEOUUMDVASMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19-18(2,13-17(20)21)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,19H,3,13H2,1-2H3,(H,20,21).
What are the key properties of 3-(ethylamino)-3-(4-phenylphenyl)butanoic acid?
3-(ethylamino)-3-(4-phenylphenyl)butanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 65233928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).