2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid

C26H30N2O2 — CID 67329581

IUPAC2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid
SMILESCc1ccc(C(NCCCCC(N)C(=O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O2/c1-20-15-17-23(18-16-20)26(21-10-4-2-5-11-21,22-12-6-3-7-13-22)28-19-9-8-14-24(27)25(29)30/h2-7,10-13,15-18,24,28H,8-9,14,19,27H2,1H3,(H,29,30)
InChIKeyURQNDMXCKJEUEW-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.46
Rot. Bonds10

About 2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid

2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid (PubChem CID 67329581) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid
PubChem CID67329581
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid
SMILESCc1ccc(C(NCCCCC(N)C(=O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O2/c1-20-15-17-23(18-16-20)26(21-10-4-2-5-11-21,22-12-6-3-7-13-22)28-19-9-8-14-24(27)25(29)30/h2-7,10-13,15-18,24,28H,8-9,14,19,27H2,1H3,(H,29,30)
InChIKeyURQNDMXCKJEUEW-UHFFFAOYSA-N
XLogP4.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid?
The IUPAC name of 2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid (CID 67329581) is 2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid.
What is the SMILES notation for 2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid?
The canonical SMILES for 2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid is Cc1ccc(C(NCCCCC(N)C(=O)O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid?
The InChIKey is URQNDMXCKJEUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-20-15-17-23(18-16-20)26(21-10-4-2-5-11-21,22-12-6-3-7-13-22)28-19-9-8-14-24(27)25(29)30/h2-7,10-13,15-18,24,28H,8-9,14,19,27H2,1H3,(H,29,30).
What are the key properties of 2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid?
2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid has a molecular weight of 402.54 g/mol, XLogP of 4.46, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid is sourced from PubChem (CID 67329581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).