N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide

C26H36N6O5 — CID 170307367

About N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide

N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 170307367) has the molecular formula C26H36N6O5 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 170307367
• Molecular Formula: C26H36N6O5
• Molecular Weight: 512.61 g/mol
• Exact Mass: 512.27
• IUPAC Name: N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
• SMILES: CC(C)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CN1CCNC1=O)C(O)C(=O)NCC1CC1
• InChI: InChI=1S/C26H36N6O5/c1-15(2)11-19(30-24(35)20-12-17-5-3-4-6-18(17)29-20)23(34)31-21(14-32-10-9-27-26(32)37)22(33)25(36)28-13-16-7-8-16/h3-6,12,15-16,19,21-22,29,33H,7-11,13-14H2,1-2H3,(H,27,37)(H,28,36)(H,30,35)(H,31,34)
• InChIKey: VBWDCZLDUWODFF-UHFFFAOYSA-N
• XLogP: 0.71
• TPSA: 155.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.61
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (CID 170307367) is N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide is CC(C)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CN1CCNC1=O)C(O)C(=O)NCC1CC1.

What is the InChIKey of N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is VBWDCZLDUWODFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O5/c1-15(2)11-19(30-24(35)20-12-17-5-3-4-6-18(17)29-20)23(34)31-21(14-32-10-9-27-26(32)37)22(33)25(36)28-13-16-7-8-16/h3-6,12,15-16,19,21-22,29,33H,7-11,13-14H2,1-2H3,(H,27,37)(H,28,36)(H,30,35)(H,31,34).

What are the key properties of N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?

N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 0.71, 12 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-(cyclopropylmethylamino)-3-hydroxy-4-oxo-1-(2-oxoimidazolidin-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 170307367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).