N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide

C24H41N3O2 — CID 42767816

About N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide

N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide (PubChem CID 42767816) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide.

Molecular Properties

• Compound Name: N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
• PubChem CID: 42767816
• Molecular Formula: C24H41N3O2
• Molecular Weight: 403.61 g/mol
• Exact Mass: 403.32
• IUPAC Name: N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
• SMILES: CCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)CC(C)CC(C)(C)C
• InChI: InChI=1S/C24H41N3O2/c1-7-8-14-26(22(28)15-19(2)16-24(3,4)5)18-23(29)27(20-11-12-20)17-21-10-9-13-25(21)6/h9-10,13,19-20H,7-8,11-12,14-18H2,1-6H3
• InChIKey: OALSRYYEJAJUNO-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.61
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide?

The IUPAC name of N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide (CID 42767816) is N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide.

What is the SMILES notation for N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide?

The canonical SMILES for N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide is CCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)CC(C)CC(C)(C)C.

What is the InChIKey of N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide?

The InChIKey is OALSRYYEJAJUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O2/c1-7-8-14-26(22(28)15-19(2)16-24(3,4)5)18-23(29)27(20-11-12-20)17-21-10-9-13-25(21)6/h9-10,13,19-20H,7-8,11-12,14-18H2,1-6H3.

What are the key properties of N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide?

N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide has a molecular weight of 403.61 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 42767816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).