4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid

C22H29NO2 — CID 120511992

IUPAC4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
SMILESCC(C)Cc1ccc(CNC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-17(2)14-19-8-10-20(11-9-19)16-23-21(12-13-22(24)25)15-18-6-4-3-5-7-18/h3-11,17,21,23H,12-16H2,1-2H3,(H,24,25)
InChIKeyWRHQEHDFJXZPRC-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.45
Rot. Bonds10

About 4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid

4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid (PubChem CID 120511992) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
PubChem CID120511992
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
SMILESCC(C)Cc1ccc(CNC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-17(2)14-19-8-10-20(11-9-19)16-23-21(12-13-22(24)25)15-18-6-4-3-5-7-18/h3-11,17,21,23H,12-16H2,1-2H3,(H,24,25)
InChIKeyWRHQEHDFJXZPRC-UHFFFAOYSA-N
XLogP4.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511914
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700
4-[[4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511928
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
4-[(3-chloro-4-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045862
4-[(4-chloro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120512052
4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120511962
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid
CID 122045767
4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
CID 122045784
4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511853

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid (CID 120511992) is 4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid is CC(C)Cc1ccc(CNC(CCC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid?
The InChIKey is WRHQEHDFJXZPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17(2)14-19-8-10-20(11-9-19)16-23-21(12-13-22(24)25)15-18-6-4-3-5-7-18/h3-11,17,21,23H,12-16H2,1-2H3,(H,24,25).
What are the key properties of 4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid?
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid has a molecular weight of 339.48 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120511992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).