N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide

C36H41N3O5 — CID 123156550

About N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide

N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide (PubChem CID 123156550) has the molecular formula C36H41N3O5 and a molecular weight of 595.74 g/mol. Its IUPAC name is N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide
• PubChem CID: 123156550
• Molecular Formula: C36H41N3O5
• Molecular Weight: 595.74 g/mol
• Exact Mass: 595.30
• IUPAC Name: N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide
• SMILES: COc1ccc(CC(NC(=O)C(C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)NC(Cc2ccccc2)CC2(C)CO2)cc1
• InChI: InChI=1S/C36H41N3O5/c1-23-30-13-9-8-12-27(30)20-31(23)34(41)37-24(2)33(40)39-32(19-26-14-16-29(43-4)17-15-26)35(42)38-28(21-36(3)22-44-36)18-25-10-6-5-7-11-25/h5-17,24,28,32H,18-22H2,1-4H3,(H,37,41)(H,38,42)(H,39,40)
• InChIKey: WMZPSNUBAXUDLG-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 109.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.74
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

The IUPAC name of N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide (CID 123156550) is N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide.

What is the SMILES notation for N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

The canonical SMILES for N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide is COc1ccc(CC(NC(=O)C(C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)NC(Cc2ccccc2)CC2(C)CO2)cc1.

What is the InChIKey of N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

The InChIKey is WMZPSNUBAXUDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N3O5/c1-23-30-13-9-8-12-27(30)20-31(23)34(41)37-24(2)33(40)39-32(19-26-14-16-29(43-4)17-15-26)35(42)38-28(21-36(3)22-44-36)18-25-10-6-5-7-11-25/h5-17,24,28,32H,18-22H2,1-4H3,(H,37,41)(H,38,42)(H,39,40).

What are the key properties of N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide has a molecular weight of 595.74 g/mol, XLogP of 4.16, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[3-(4-methoxyphenyl)-1-[[1-(2-methyloxiran-2-yl)-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide is sourced from PubChem (CID 123156550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).