N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide

C64H80N6O12 — CID 123426673

About N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide

N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide (PubChem CID 123426673) has the molecular formula C64H80N6O12 and a molecular weight of 1125.37 g/mol. Its IUPAC name is N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide
• PubChem CID: 123426673
• Molecular Formula: C64H80N6O12
• Molecular Weight: 1125.37 g/mol
• Exact Mass: 1124.58
• IUPAC Name: N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide
• SMILES: COc1ccc(CC(NC(=O)CNC(=O)C2=C(C)c3ccccc3C2)C(=O)NC(CC2CCC(c3cc(CC(NC(=O)C(C)NC(=O)C4=CCCC4)C(=O)NC(CC4CCCC4)C(=O)C4(C)CO4)ccc3OC)C2)C(=O)C2(C)CO2)cc1
• InChI: InChI=1S/C64H80N6O12/c1-37-47-18-12-11-17-44(47)33-48(37)60(76)65-34-55(71)67-52(30-40-20-24-46(79-5)25-21-40)61(77)69-51(57(73)64(4)36-82-64)31-41-19-23-45(27-41)49-28-42(22-26-54(49)80-6)32-53(70-58(74)38(2)66-59(75)43-15-9-10-16-43)62(78)68-50(29-39-13-7-8-14-39)56(72)63(3)35-81-63/h11-12,15,17-18,20-22,24-26,28,38-39,41,45,50-53H,7-10,13-14,16,19,23,27,29-36H2,1-6H3,(H,65,76)(H,66,75)(H,67,71)(H,68,78)(H,69,77)(H,70,74)
• InChIKey: UHZXTWZTCYDJPD-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 252.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 27
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1125.37
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide?

The IUPAC name of N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide (CID 123426673) is N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide.

What is the SMILES notation for N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide?

The canonical SMILES for N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide is COc1ccc(CC(NC(=O)CNC(=O)C2=C(C)c3ccccc3C2)C(=O)NC(CC2CCC(c3cc(CC(NC(=O)C(C)NC(=O)C4=CCCC4)C(=O)NC(CC4CCCC4)C(=O)C4(C)CO4)ccc3OC)C2)C(=O)C2(C)CO2)cc1.

What is the InChIKey of N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide?

The InChIKey is UHZXTWZTCYDJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H80N6O12/c1-37-47-18-12-11-17-44(47)33-48(37)60(76)65-34-55(71)67-52(30-40-20-24-46(79-5)25-21-40)61(77)69-51(57(73)64(4)36-82-64)31-41-19-23-45(27-41)49-28-42(22-26-54(49)80-6)32-53(70-58(74)38(2)66-59(75)43-15-9-10-16-43)62(78)68-50(29-39-13-7-8-14-39)56(72)63(3)35-81-63/h11-12,15,17-18,20-22,24-26,28,38-39,41,45,50-53H,7-10,13-14,16,19,23,27,29-36H2,1-6H3,(H,65,76)(H,66,75)(H,67,71)(H,68,78)(H,69,77)(H,70,74).

What are the key properties of N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide?

N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide has a molecular weight of 1125.37 g/mol, XLogP of 5.76, 27 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[[3-[3-[5-[2-[2-(cyclopentene-1-carbonylamino)propanoylamino]-3-[[3-cyclopentyl-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-methoxyphenyl]cyclopentyl]-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methyl-1H-indene-2-carboxamide is sourced from PubChem (CID 123426673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).