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

C20H33N3O2 — CID 4042274

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

N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 4042274) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
• PubChem CID: 4042274
• Molecular Formula: C20H33N3O2
• Molecular Weight: 347.50 g/mol
• Exact Mass: 347.26
• IUPAC Name: N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
• SMILES: CCC(C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)C(C)(C)C
• InChI: InChI=1S/C20H33N3O2/c1-7-15(2)22(19(25)20(3,4)5)14-18(24)23(16-10-11-16)13-17-9-8-12-21(17)6/h8-9,12,15-16H,7,10-11,13-14H2,1-6H3
• InChIKey: SGKNVRCMZWZTHZ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.50
LogP ≤ 5	3.19
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]-2,2-dimethylpropanamide?

The IUPAC name of N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 4042274) is N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.

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

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

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

The InChIKey is SGKNVRCMZWZTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-7-15(2)22(19(25)20(3,4)5)14-18(24)23(16-10-11-16)13-17-9-8-12-21(17)6/h8-9,12,15-16H,7,10-11,13-14H2,1-6H3.

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

N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 347.50 g/mol, XLogP of 3.19, 7 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 4042274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).