N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide

C36H36N4O5 — CID 102120120

About N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide

N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide (PubChem CID 102120120) has the molecular formula C36H36N4O5 and a molecular weight of 604.71 g/mol. Its IUPAC name is N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
• PubChem CID: 102120120
• Molecular Formula: C36H36N4O5
• Molecular Weight: 604.71 g/mol
• Exact Mass: 604.27
• IUPAC Name: N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
• SMILES: Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)C3CCc4ccccc43)c2)c1
• InChI: InChI=1S/C36H36N4O5/c1-25-10-8-12-27(20-25)38-36(44)37-22-34(42)40(23-35(43)39(2)28-13-4-3-5-14-28)29-15-9-16-30(21-29)45-24-33(41)32-19-18-26-11-6-7-17-31(26)32/h3-17,20-21,32H,18-19,22-24H2,1-2H3,(H2,37,38,44)
• InChIKey: ZUZZYRSTJUGLGU-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.71
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?

The IUPAC name of N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide (CID 102120120) is N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide.

What is the SMILES notation for N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?

The canonical SMILES for N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide is Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)C3CCc4ccccc43)c2)c1.

What is the InChIKey of N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?

The InChIKey is ZUZZYRSTJUGLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4O5/c1-25-10-8-12-27(20-25)38-36(44)37-22-34(42)40(23-35(43)39(2)28-13-4-3-5-14-28)29-15-9-16-30(21-29)45-24-33(41)32-19-18-26-11-6-7-17-31(26)32/h3-17,20-21,32H,18-19,22-24H2,1-2H3,(H2,37,38,44).

What are the key properties of N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide?

N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide has a molecular weight of 604.71 g/mol, XLogP of 5.49, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(2,3-dihydro-1H-inden-1-yl)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 102120120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).