4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide

C27H38N6O6 — CID 170307336

About 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide

4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 170307336) has the molecular formula C27H38N6O6 and a molecular weight of 542.64 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 170307336
• Molecular Formula: C27H38N6O6
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.29
• IUPAC Name: 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide
• SMILES: CCC(C)C(NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)NC(CN1CCNC1=O)C(=O)C(=O)NCC(C)C
• InChI: InChI=1S/C27H38N6O6/c1-6-16(4)22(32-24(35)19-12-17-18(30-19)8-7-9-21(17)39-5)25(36)31-20(14-33-11-10-28-27(33)38)23(34)26(37)29-13-15(2)3/h7-9,12,15-16,20,22,30H,6,10-11,13-14H2,1-5H3,(H,28,38)(H,29,37)(H,31,36)(H,32,35)
• InChIKey: YHWGXKCITMSXKS-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 161.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide (CID 170307336) is 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide is CCC(C)C(NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)NC(CN1CCNC1=O)C(=O)C(=O)NCC(C)C.

What is the InChIKey of 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is YHWGXKCITMSXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O6/c1-6-16(4)22(32-24(35)19-12-17-18(30-19)8-7-9-21(17)39-5)25(36)31-20(14-33-11-10-28-27(33)38)23(34)26(37)29-13-15(2)3/h7-9,12,15-16,20,22,30H,6,10-11,13-14H2,1-5H3,(H,28,38)(H,29,37)(H,31,36)(H,32,35).

What are the key properties of 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 542.64 g/mol, XLogP of 1.17, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[3-methyl-1-[[4-(2-methylpropylamino)-3,4-dioxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-1-oxopentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 170307336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).