N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide

C37H46N2O3 — CID 170970709

About N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide

N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide (PubChem CID 170970709) has the molecular formula C37H46N2O3 and a molecular weight of 566.79 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide.

Molecular Properties

• Compound Name: N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide
• PubChem CID: 170970709
• Molecular Formula: C37H46N2O3
• Molecular Weight: 566.79 g/mol
• Exact Mass: 566.35
• IUPAC Name: N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide
• SMILES: CC(C)c1cccc(C(=O)N(C)CCC(C)c2cccc(C(=O)CCC(C)c3cccc(C(=O)N4CCCC4)c3)c2)c1
• InChI: InChI=1S/C37H46N2O3/c1-26(2)29-11-8-15-33(23-29)36(41)38(5)22-19-28(4)30-12-9-14-32(24-30)35(40)18-17-27(3)31-13-10-16-34(25-31)37(42)39-20-6-7-21-39/h8-16,23-28H,6-7,17-22H2,1-5H3
• InChIKey: XMGGFUWBWQZHQZ-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.79
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide?

The IUPAC name of N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide (CID 170970709) is N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide.

What is the SMILES notation for N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide?

The canonical SMILES for N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide is CC(C)c1cccc(C(=O)N(C)CCC(C)c2cccc(C(=O)CCC(C)c3cccc(C(=O)N4CCCC4)c3)c2)c1.

What is the InChIKey of N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide?

The InChIKey is XMGGFUWBWQZHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N2O3/c1-26(2)29-11-8-15-33(23-29)36(41)38(5)22-19-28(4)30-12-9-14-32(24-30)35(40)18-17-27(3)31-13-10-16-34(25-31)37(42)39-20-6-7-21-39/h8-16,23-28H,6-7,17-22H2,1-5H3.

What are the key properties of N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide?

N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide has a molecular weight of 566.79 g/mol, XLogP of 8.08, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide is sourced from PubChem (CID 170970709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).