(1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide

C19H24ClN3O3 — CID 155508425

About (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide

(1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide (PubChem CID 155508425) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide.

Molecular Properties

• Compound Name: (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide
• PubChem CID: 155508425
• Molecular Formula: C19H24ClN3O3
• Molecular Weight: 377.87 g/mol
• Exact Mass: 377.15
• IUPAC Name: (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide
• SMILES: CCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(Cl)cc3)[C@H]3CC[C@]2(C1)O3
• InChI: InChI=1S/C19H24ClN3O3/c1-2-21-18(25)23-10-15-14(16-7-8-19(15,11-23)26-16)9-22-17(24)12-3-5-13(20)6-4-12/h3-6,14-16H,2,7-11H2,1H3,(H,21,25)(H,22,24)/t14-,15+,16+,19+/m0/s1
• InChIKey: GDOWFEPXQXVWNR-WFXMFSGNSA-N
• XLogP: 2.28
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.87
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide?

The IUPAC name of (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide (CID 155508425) is (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide.

What is the SMILES notation for (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide?

The canonical SMILES for (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide is CCNC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(Cl)cc3)[C@H]3CC[C@]2(C1)O3.

What is the InChIKey of (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide?

The InChIKey is GDOWFEPXQXVWNR-WFXMFSGNSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-2-21-18(25)23-10-15-14(16-7-8-19(15,11-23)26-16)9-22-17(24)12-3-5-13(20)6-4-12/h3-6,14-16H,2,7-11H2,1H3,(H,21,25)(H,22,24)/t14-,15+,16+,19+/m0/s1.

What are the key properties of (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide?

(1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide is sourced from PubChem (CID 155508425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).