2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid

C29H27NO2 — CID 19868014

IUPAC2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid
SMILESCC(C(=O)O)(c1ccccc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C29H27NO2/c1-29(28(31)32,25-15-9-4-10-16-25)26-17-19-27(20-18-26)30(21-23-11-5-2-6-12-23)22-24-13-7-3-8-14-24/h2-20H,21-22H2,1H3,(H,31,32)
InChIKeyBHFPKPZGUHOPGW-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.28
Rot. Bonds8

About 2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid

2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid (PubChem CID 19868014) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid
PubChem CID19868014
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid
SMILESCC(C(=O)O)(c1ccccc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C29H27NO2/c1-29(28(31)32,25-15-9-4-10-16-25)26-17-19-27(20-18-26)30(21-23-11-5-2-6-12-23)22-24-13-7-3-8-14-24/h2-20H,21-22H2,1H3,(H,31,32)
InChIKeyBHFPKPZGUHOPGW-UHFFFAOYSA-N
XLogP6.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis[4-[bis[(4-chlorophenyl)methyl]amino]phenyl]propanoic acid
CID 19868057
2,2-bis[4-[ethyl(3-phenylprop-2-enyl)amino]phenyl]propanoic acid
CID 54376838
N,N-dibenzylaniline
CID 139071697
2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol
CID 150750558
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
2-[[1-[benzyl(methyl)amino]-3-fluoropropan-2-yl]amino]-2-[4-(dibenzylamino)phenyl]-3,3,3-trifluoropropanoic acid
CID 178113717
2,2-diphenylpropanoic acid;phenyl 3-phenylpropanoate
CID 175021775
4-benzyl-N,N-bis[(3,5-ditert-butylphenyl)methyl]aniline;ethane
CID 143479882
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
CID 142549273
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
(2R)-2-(dibenzylamino)-2-(hydroxymethyl)-3,3-dimethylbutanoic acid
CID 175040601
3-(N-benzylanilino)propyl acetate
CID 54183872

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid?
The IUPAC name of 2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid (CID 19868014) is 2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid?
The canonical SMILES for 2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid is CC(C(=O)O)(c1ccccc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid?
The InChIKey is BHFPKPZGUHOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c1-29(28(31)32,25-15-9-4-10-16-25)26-17-19-27(20-18-26)30(21-23-11-5-2-6-12-23)22-24-13-7-3-8-14-24/h2-20H,21-22H2,1H3,(H,31,32).
What are the key properties of 2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid?
2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid has a molecular weight of 421.54 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid is sourced from PubChem (CID 19868014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).