N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide

C19H31N3O2 — CID 42767799

About N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide

N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 42767799) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
• PubChem CID: 42767799
• Molecular Formula: C19H31N3O2
• Molecular Weight: 333.48 g/mol
• Exact Mass: 333.24
• IUPAC Name: N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
• SMILES: CCC(C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)C(C)C
• InChI: InChI=1S/C19H31N3O2/c1-6-15(4)21(19(24)14(2)3)13-18(23)22(16-9-10-16)12-17-8-7-11-20(17)5/h7-8,11,14-16H,6,9-10,12-13H2,1-5H3
• InChIKey: JQZZLQOOWMUWLD-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.48
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?

The IUPAC name of N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide (CID 42767799) is N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide.

What is the SMILES notation for N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?

The canonical SMILES for N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide is CCC(C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)C(C)C.

What is the InChIKey of N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?

The InChIKey is JQZZLQOOWMUWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-15(4)21(19(24)14(2)3)13-18(23)22(16-9-10-16)12-17-8-7-11-20(17)5/h7-8,11,14-16H,6,9-10,12-13H2,1-5H3.

What are the key properties of N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide?

N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 42767799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).