(11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C29H38N4O3 — CID 92721472

About (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92721472) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 92721472
• Molecular Formula: C29H38N4O3
• Molecular Weight: 490.65 g/mol
• Exact Mass: 490.29
• IUPAC Name: (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CN(CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)Cc1ccccc1
• InChI: InChI=1S/C29H38N4O3/c1-29(28(35)30-23-13-8-3-4-9-14-23)21-32-24-15-18-36-26(24)19-25(32)27(34)33(29)17-10-16-31(2)20-22-11-6-5-7-12-22/h5-7,11-12,15,18-19,23H,3-4,8-10,13-14,16-17,20-21H2,1-2H3,(H,30,35)/t29-/m1/s1
• InChIKey: JWWMIOCGWURKOQ-GDLZYMKVSA-N
• XLogP: 4.81
• TPSA: 70.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.65
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92721472) is (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CN(CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)Cc1ccccc1.

What is the InChIKey of (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is JWWMIOCGWURKOQ-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-29(28(35)30-23-13-8-3-4-9-14-23)21-32-24-15-18-36-26(24)19-25(32)27(34)33(29)17-10-16-31(2)20-22-11-6-5-7-12-22/h5-7,11-12,15,18-19,23H,3-4,8-10,13-14,16-17,20-21H2,1-2H3,(H,30,35)/t29-/m1/s1.

What are the key properties of (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

(11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-10-[3-[benzyl(methyl)amino]propyl]-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92721472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).