4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid

C22H26N2O4 — CID 2846759

IUPAC4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)CCCNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c25-19(23-15-8-14-20(26)27)13-7-16-24-22(28)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,21H,7-8,13-16H2,(H,23,25)(H,24,28)(H,26,27)
InChIKeyMWGVPTZCGPXBHQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.70
Rot. Bonds11

About 4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid

4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid (PubChem CID 2846759) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid
PubChem CID2846759
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)CCCNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c25-19(23-15-8-14-20(26)27)13-7-16-24-22(28)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,21H,7-8,13-16H2,(H,23,25)(H,24,28)(H,26,27)
InChIKeyMWGVPTZCGPXBHQ-UHFFFAOYSA-N
XLogP2.70
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid?
The IUPAC name of 4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid (CID 2846759) is 4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid.
What is the SMILES notation for 4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid?
The canonical SMILES for 4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid is O=C(O)CCCNC(=O)CCCNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid?
The InChIKey is MWGVPTZCGPXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-19(23-15-8-14-20(26)27)13-7-16-24-22(28)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,21H,7-8,13-16H2,(H,23,25)(H,24,28)(H,26,27).
What are the key properties of 4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid?
4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid has a molecular weight of 382.46 g/mol, XLogP of 2.70, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,2-diphenylacetyl)amino]butanoylamino]butanoic acid is sourced from PubChem (CID 2846759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).