N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide

C24H28N4O3 — CID 3675353

About N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide

N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide (PubChem CID 3675353) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide
• PubChem CID: 3675353
• Molecular Formula: C24H28N4O3
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.22
• IUPAC Name: N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide
• SMILES: CN(C)c1ccc(C(=O)N2CC3CC(C2)c2ccc(NC(=O)C4CC4)c(=O)n2C3)cc1
• InChI: InChI=1S/C24H28N4O3/c1-26(2)19-7-5-17(6-8-19)23(30)27-12-15-11-18(14-27)21-10-9-20(24(31)28(21)13-15)25-22(29)16-3-4-16/h5-10,15-16,18H,3-4,11-14H2,1-2H3,(H,25,29)
• InChIKey: LEUKQKZULCCCGP-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 74.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide?

The IUPAC name of N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide (CID 3675353) is N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide is CN(C)c1ccc(C(=O)N2CC3CC(C2)c2ccc(NC(=O)C4CC4)c(=O)n2C3)cc1.

What is the InChIKey of N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide?

The InChIKey is LEUKQKZULCCCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-26(2)19-7-5-17(6-8-19)23(30)27-12-15-11-18(14-27)21-10-9-20(24(31)28(21)13-15)25-22(29)16-3-4-16/h5-10,15-16,18H,3-4,11-14H2,1-2H3,(H,25,29).

What are the key properties of N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide?

N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-[4-(dimethylamino)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 3675353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).