N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide

C24H35N3O4 — CID 3664975

About N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide

N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide (PubChem CID 3664975) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide
• PubChem CID: 3664975
• Molecular Formula: C24H35N3O4
• Molecular Weight: 429.56 g/mol
• Exact Mass: 429.26
• IUPAC Name: N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide
• SMILES: CCCCN(Cc1cccn1C)C(=O)CN(C(=O)c1cc(OC)cc(OC)c1)C(C)C
• InChI: InChI=1S/C24H35N3O4/c1-7-8-12-26(16-20-10-9-11-25(20)4)23(28)17-27(18(2)3)24(29)19-13-21(30-5)15-22(14-19)31-6/h9-11,13-15,18H,7-8,12,16-17H2,1-6H3
• InChIKey: FGFVJUCGHBPJIS-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 64.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.56
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide (CID 3664975) is N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide.

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

The canonical SMILES for N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide is CCCCN(Cc1cccn1C)C(=O)CN(C(=O)c1cc(OC)cc(OC)c1)C(C)C.

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

The InChIKey is FGFVJUCGHBPJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-7-8-12-26(16-20-10-9-11-25(20)4)23(28)17-27(18(2)3)24(29)19-13-21(30-5)15-22(14-19)31-6/h9-11,13-15,18H,7-8,12,16-17H2,1-6H3.

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

N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide has a molecular weight of 429.56 g/mol, XLogP of 3.72, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 3664975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).