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

C23H37N3O2 — CID 3540934

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

N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide (PubChem CID 3540934) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
• PubChem CID: 3540934
• Molecular Formula: C23H37N3O2
• Molecular Weight: 387.57 g/mol
• Exact Mass: 387.29
• IUPAC Name: N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
• SMILES: CC(CC(=O)N(CC(=O)N(Cc1cccn1C)C1CC1)C1CC1)CC(C)(C)C
• InChI: InChI=1S/C23H37N3O2/c1-17(14-23(2,3)4)13-21(27)26(19-10-11-19)16-22(28)25(18-8-9-18)15-20-7-6-12-24(20)5/h6-7,12,17-19H,8-11,13-16H2,1-5H3
• InChIKey: LBGBOLOYFQBSJR-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.57
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide (CID 3540934) is N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide.

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

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

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

The InChIKey is LBGBOLOYFQBSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-17(14-23(2,3)4)13-21(27)26(19-10-11-19)16-22(28)25(18-8-9-18)15-20-7-6-12-24(20)5/h6-7,12,17-19H,8-11,13-16H2,1-5H3.

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

N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide has a molecular weight of 387.57 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 3540934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).