2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid

C25H23N3O4 — CID 15480077

IUPAC2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid
SMILESCc1ccc(NC(=O)NC2(CC(=O)O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H23N3O4/c1-17-11-13-19(14-12-17)26-24(32)27-25(15-22(29)30)20-9-5-6-10-21(20)28(23(25)31)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,29,30)(H2,26,27,32)
InChIKeyMREGYEBOAQDJAD-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.03
Rot. Bonds6

About 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid

2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid (PubChem CID 15480077) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid
PubChem CID15480077
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid
SMILESCc1ccc(NC(=O)NC2(CC(=O)O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H23N3O4/c1-17-11-13-19(14-12-17)26-24(32)27-25(15-22(29)30)20-9-5-6-10-21(20)28(23(25)31)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,29,30)(H2,26,27,32)
InChIKeyMREGYEBOAQDJAD-UHFFFAOYSA-N
XLogP4.03
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid?
The IUPAC name of 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid (CID 15480077) is 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid is Cc1ccc(NC(=O)NC2(CC(=O)O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid?
The InChIKey is MREGYEBOAQDJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-11-13-19(14-12-17)26-24(32)27-25(15-22(29)30)20-9-5-6-10-21(20)28(23(25)31)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,29,30)(H2,26,27,32).
What are the key properties of 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid?
2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid has a molecular weight of 429.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]acetic acid is sourced from PubChem (CID 15480077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).