acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid

C31H37NO4 — CID 173433597

IUPACacetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid
SMILESC=CCN(CCCc1ccccc1)CCCC(C(=O)O)c1ccccc1-c1ccccc1.CC(=O)O
InChIInChI=1S/C29H33NO2.C2H4O2/c1-2-21-30(22-11-15-24-13-5-3-6-14-24)23-12-20-28(29(31)32)27-19-10-9-18-26(27)25-16-7-4-8-17-25;1-2(3)4/h2-10,13-14,16-19,28H,1,11-12,15,20-23H2,(H,31,32);1H3,(H,3,4)
InChIKeyRPLUNUZUJSQFOZ-UHFFFAOYSA-N
MW487.64 g/mol
LogP6.51
Rot. Bonds13

About acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid

acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid (PubChem CID 173433597) has the molecular formula C31H37NO4 and a molecular weight of 487.64 g/mol. Its IUPAC name is acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid.

Molecular Properties

Compound Nameacetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid
PubChem CID173433597
Molecular FormulaC31H37NO4
Molecular Weight487.64 g/mol
Exact Mass487.27
IUPAC Nameacetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid
SMILESC=CCN(CCCc1ccccc1)CCCC(C(=O)O)c1ccccc1-c1ccccc1.CC(=O)O
InChIInChI=1S/C29H33NO2.C2H4O2/c1-2-21-30(22-11-15-24-13-5-3-6-14-24)23-12-20-28(29(31)32)27-19-10-9-18-26(27)25-16-7-4-8-17-25;1-2(3)4/h2-10,13-14,16-19,28H,1,11-12,15,20-23H2,(H,31,32);1H3,(H,3,4)
InChIKeyRPLUNUZUJSQFOZ-UHFFFAOYSA-N
XLogP6.51
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenylphenyl)pentanoic acid
CID 67565626
6-[benzyl(prop-2-enyl)amino]-2-(3-phenylpropanoylamino)hexanoic acid
CID 101015025
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
(2S)-2,5-diphenylpentanoic acid
CID 7054365
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
3-methyl-6-phenylhexan-2-one
CID 59396975
2-[2-(hydroxymethyl)phenyl]hept-6-enoic acid
CID 10537648
carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol
CID 118510478
4-(dimethylamino)-2-(2-phenylphenyl)butanamide
CID 70546597
(2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-5-phenylpentanamide
CID 90025591
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide
CID 57015083

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid?
The IUPAC name of acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid (CID 173433597) is acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid.
What is the SMILES notation for acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid?
The canonical SMILES for acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid is C=CCN(CCCc1ccccc1)CCCC(C(=O)O)c1ccccc1-c1ccccc1.CC(=O)O.
What is the InChIKey of acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid?
The InChIKey is RPLUNUZUJSQFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO2.C2H4O2/c1-2-21-30(22-11-15-24-13-5-3-6-14-24)23-12-20-28(29(31)32)27-19-10-9-18-26(27)25-16-7-4-8-17-25;1-2(3)4/h2-10,13-14,16-19,28H,1,11-12,15,20-23H2,(H,31,32);1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid?
acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid has a molecular weight of 487.64 g/mol, XLogP of 6.51, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid is sourced from PubChem (CID 173433597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).