N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide

C37H40N4O5 — CID 139033257

About N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide

N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide (PubChem CID 139033257) has the molecular formula C37H40N4O5 and a molecular weight of 620.75 g/mol. Its IUPAC name is N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide
• PubChem CID: 139033257
• Molecular Formula: C37H40N4O5
• Molecular Weight: 620.75 g/mol
• Exact Mass: 620.30
• IUPAC Name: N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide
• SMILES: CC1=C(C(=O)NC(C)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)C(C)CO)Cc2ccccc21
• InChI: InChI=1S/C37H40N4O5/c1-22(21-42)34(43)32(17-25-11-5-4-6-12-25)40-37(46)33(19-27-20-38-31-16-10-9-15-29(27)31)41-35(44)24(3)39-36(45)30-18-26-13-7-8-14-28(26)23(30)2/h4-16,20,22,24,32-33,38,42H,17-19,21H2,1-3H3,(H,39,45)(H,40,46)(H,41,44)
• InChIKey: GCKVAOQLUKFJOV-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 140.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.75
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

The IUPAC name of N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide (CID 139033257) is N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide.

What is the SMILES notation for N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

The canonical SMILES for N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide is CC1=C(C(=O)NC(C)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)C(C)CO)Cc2ccccc21.

What is the InChIKey of N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

The InChIKey is GCKVAOQLUKFJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O5/c1-22(21-42)34(43)32(17-25-11-5-4-6-12-25)40-37(46)33(19-27-20-38-31-16-10-9-15-29(27)31)41-35(44)24(3)39-36(45)30-18-26-13-7-8-14-28(26)23(30)2/h4-16,20,22,24,32-33,38,42H,17-19,21H2,1-3H3,(H,39,45)(H,40,46)(H,41,44).

What are the key properties of N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide?

N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide has a molecular weight of 620.75 g/mol, XLogP of 3.65, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[(5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide is sourced from PubChem (CID 139033257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).