5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid

C22H29NO2 — CID 122045940

IUPAC5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
SMILESCC(C)c1ccc(CCNC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-17(2)20-10-8-18(9-11-20)14-15-23-21(12-13-22(24)25)16-19-6-4-3-5-7-19/h3-11,17,21,23H,12-16H2,1-2H3,(H,24,25)
InChIKeyVVJGEDXJFHDRDN-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.42
Rot. Bonds10

About 5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid

5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid (PubChem CID 122045940) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
PubChem CID122045940
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid
SMILESCC(C)c1ccc(CCNC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-17(2)20-10-8-18(9-11-20)14-15-23-21(12-13-22(24)25)16-19-6-4-3-5-7-19/h3-11,17,21,23H,12-16H2,1-2H3,(H,24,25)
InChIKeyVVJGEDXJFHDRDN-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
CID 122045784
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
3-(3-methylbutylamino)-4-(4-propan-2-ylphenyl)butanoic acid
CID 82350519
4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900
4-[(3-chloro-4-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045862
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[(4-chloro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120512052
4-[2-(4-acetamidophenyl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122000813
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid (CID 122045940) is 5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid is CC(C)c1ccc(CCNC(CCC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid?
The InChIKey is VVJGEDXJFHDRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17(2)20-10-8-18(9-11-20)14-15-23-21(12-13-22(24)25)16-19-6-4-3-5-7-19/h3-11,17,21,23H,12-16H2,1-2H3,(H,24,25).
What are the key properties of 5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid?
5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid has a molecular weight of 339.48 g/mol, XLogP of 4.42, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[2-(4-propan-2-ylphenyl)ethylamino]pentanoic acid is sourced from PubChem (CID 122045940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).