4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid

C34H44N2O7 — CID 15218076

IUPAC4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
SMILESCOc1ccc(C(NCCCOCCOCCOCCCNC(=O)CCC(=O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H44N2O7/c1-40-31-16-14-30(15-17-31)34(28-10-4-2-5-11-28,29-12-6-3-7-13-29)36-21-9-23-42-25-27-43-26-24-41-22-8-20-35-32(37)18-19-33(38)39/h2-7,10-17,36H,8-9,18-27H2,1H3,(H,35,37)(H,38,39)
InChIKeyMSQZIJBYSYUFRZ-UHFFFAOYSA-N
MW592.73 g/mol
LogP4.39
Rot. Bonds22

About 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid

4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid (PubChem CID 15218076) has the molecular formula C34H44N2O7 and a molecular weight of 592.73 g/mol. Its IUPAC name is 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
PubChem CID15218076
Molecular FormulaC34H44N2O7
Molecular Weight592.73 g/mol
Exact Mass592.31
IUPAC Name4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
SMILESCOc1ccc(C(NCCCOCCOCCOCCCNC(=O)CCC(=O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H44N2O7/c1-40-31-16-14-30(15-17-31)34(28-10-4-2-5-11-28,29-12-6-3-7-13-29)36-21-9-23-42-25-27-43-26-24-41-22-8-20-35-32(37)18-19-33(38)39/h2-7,10-17,36H,8-9,18-27H2,1H3,(H,35,37)(H,38,39)
InChIKeyMSQZIJBYSYUFRZ-UHFFFAOYSA-N
XLogP4.39
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.73
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic 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

4-[3-[2-[2-[3-[[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
CID 51340441
(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51341052
(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51341053
2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-11-[(4-methoxyphenyl)-diphenylmethyl]sulfanylundecanamide;N-(5-aminopentyl)-11-[(4-methoxyphenyl)-diphenylmethyl]sulfanylundecanamide;N-(3-aminopropyl)-11-[(4-methoxyphenyl)-diphenylmethyl]sulfanylundecanamide;11-[(4-methoxyphenyl)-diphenylmethyl]sulfanylundecanoic acid;pentane-1,5-diamine;propane-1,3-diamine
CID 162150287
4-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 18974823
N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide
CID 158860179
2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethoxy]ethyl propan-2-yl hydrogen phosphate
CID 67989505
3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]hexanoyl]amino]propanoic acid
CID 130470206
4-[2-[3-[3-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]propyldisulfanyl]propoxy]ethoxy]-4-oxobutanoic acid
CID 53340297
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid (CID 15218076) is 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid is COc1ccc(C(NCCCOCCOCCOCCCNC(=O)CCC(=O)O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid?
The InChIKey is MSQZIJBYSYUFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2O7/c1-40-31-16-14-30(15-17-31)34(28-10-4-2-5-11-28,29-12-6-3-7-13-29)36-21-9-23-42-25-27-43-26-24-41-22-8-20-35-32(37)18-19-33(38)39/h2-7,10-17,36H,8-9,18-27H2,1H3,(H,35,37)(H,38,39).
What are the key properties of 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid?
4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid has a molecular weight of 592.73 g/mol, XLogP of 4.39, 22 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[2-[3-[[(4-methoxyphenyl)-diphenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid is sourced from PubChem (CID 15218076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).