N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide

C24H24N4O2 — CID 52710884

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)Nc2ccccc2N2CCc3ccccc32)c1
InChIInChI=1S/C24H24N4O2/c1-17-7-6-9-19(15-17)26-24(30)25-16-23(29)27-20-10-3-5-12-22(20)28-14-13-18-8-2-4-11-21(18)28/h2-12,15H,13-14,16H2,1H3,(H,27,29)(H2,25,26,30)
InChIKeyXLYSUJDFFOKEFH-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.45
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide

N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide (PubChem CID 52710884) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
PubChem CID52710884
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)Nc2ccccc2N2CCc3ccccc32)c1
InChIInChI=1S/C24H24N4O2/c1-17-7-6-9-19(15-17)26-24(30)25-16-23(29)27-20-10-3-5-12-22(20)28-14-13-18-8-2-4-11-21(18)28/h2-12,15H,13-14,16H2,1H3,(H,27,29)(H2,25,26,30)
InChIKeyXLYSUJDFFOKEFH-UHFFFAOYSA-N
XLogP4.45
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide (CID 52710884) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide is Cc1cccc(NC(=O)NCC(=O)Nc2ccccc2N2CCc3ccccc32)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
The InChIKey is XLYSUJDFFOKEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-7-6-9-19(15-17)26-24(30)25-16-23(29)27-20-10-3-5-12-22(20)28-14-13-18-8-2-4-11-21(18)28/h2-12,15H,13-14,16H2,1H3,(H,27,29)(H2,25,26,30).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 52710884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).