2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium

C32H44N2O3 — CID 131726683

IUPAC2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium
SMILESCCCCC(NC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(=O)[O-].CC[NH+](CC)CC
InChIInChI=1S/C26H29NO3.C6H15N/c1-3-4-15-24(25(28)29)27-26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)22-16-18-23(30-2)19-17-22;1-4-7(5-2)6-3/h5-14,16-19,24,27H,3-4,15H2,1-2H3,(H,28,29);4-6H2,1-3H3
InChIKeyFEXRSWARNLNYOB-UHFFFAOYSA-N
MW504.72 g/mol
LogP3.82
Rot. Bonds13

About 2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium

2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium (PubChem CID 131726683) has the molecular formula C32H44N2O3 and a molecular weight of 504.72 g/mol. Its IUPAC name is 2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium.

Molecular Properties

Compound Name2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium
PubChem CID131726683
Molecular FormulaC32H44N2O3
Molecular Weight504.72 g/mol
Exact Mass504.34
IUPAC Name2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium
SMILESCCCCC(NC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(=O)[O-].CC[NH+](CC)CC
InChIInChI=1S/C26H29NO3.C6H15N/c1-3-4-15-24(25(28)29)27-26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)22-16-18-23(30-2)19-17-22;1-4-7(5-2)6-3/h5-14,16-19,24,27H,3-4,15H2,1-2H3,(H,28,29);4-6H2,1-3H3
InChIKeyFEXRSWARNLNYOB-UHFFFAOYSA-N
XLogP3.82
TPSA65.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.72
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(tritylamino)pentanoic acid
CID 70010724
diethylazanium;(2S)-4-methylsulfanyl-2-(tritylamino)butanoate
CID 72698592
(2R,3S)-2-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-3-hydroxybutanoic acid
CID 175799050
ditert-butyl (2S,4S)-2-butyl-4-(tritylamino)pentanedioate
CID 90367502
2-(4-methoxyphenyl)hexanoate
CID 19815864
methyl (2S)-3-octoxy-2-(tritylamino)propanoate
CID 10863686
(2R)-4-methoxy-2-(tritylamino)butanoic acid
CID 51341708
2-[2-(4-methoxyphenyl)propylamino]hexanoic acid
CID 122039668
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918
(4-methoxyphenyl) 2-methylhexanoate
CID 174280566
diethyl (2S)-2-(tritylamino)butanedioate
CID 140997508
ethyl 3-phenoxy-2-(tritylamino)propanoate
CID 22961284

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium?
The IUPAC name of 2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium (CID 131726683) is 2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium.
What is the SMILES notation for 2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium?
The canonical SMILES for 2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium is CCCCC(NC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(=O)[O-].CC[NH+](CC)CC.
What is the InChIKey of 2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium?
The InChIKey is FEXRSWARNLNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3.C6H15N/c1-3-4-15-24(25(28)29)27-26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)22-16-18-23(30-2)19-17-22;1-4-7(5-2)6-3/h5-14,16-19,24,27H,3-4,15H2,1-2H3,(H,28,29);4-6H2,1-3H3.
What are the key properties of 2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium?
2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium has a molecular weight of 504.72 g/mol, XLogP of 3.82, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoate;triethylazanium is sourced from PubChem (CID 131726683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).