(2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide

C20H27N3O3 — CID 134804470

About (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide

(2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide (PubChem CID 134804470) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
• PubChem CID: 134804470
• Molecular Formula: C20H27N3O3
• Molecular Weight: 357.45 g/mol
• Exact Mass: 357.21
• IUPAC Name: (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
• SMILES: COc1ccc(CNC(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)cc1
• InChI: InChI=1S/C20H27N3O3/c1-26-17-7-5-14(6-8-17)10-21-20(25)22-11-15-9-16(13-22)18-3-2-4-19(24)23(18)12-15/h5-8,15-16,18H,2-4,9-13H2,1H3,(H,21,25)/t15?,16?,18-/m1/s1
• InChIKey: INLIVJMKKCVJBK-LEOMRAHMSA-N
• XLogP: 2.24
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.45
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?

The IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide (CID 134804470) is (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide.

What is the SMILES notation for (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?

The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide is COc1ccc(CNC(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)cc1.

What is the InChIKey of (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?

The InChIKey is INLIVJMKKCVJBK-LEOMRAHMSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-26-17-7-5-14(6-8-17)10-21-20(25)22-11-15-9-16(13-22)18-3-2-4-19(24)23(18)12-15/h5-8,15-16,18H,2-4,9-13H2,1H3,(H,21,25)/t15?,16?,18-/m1/s1.

What are the key properties of (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?

(2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide is sourced from PubChem (CID 134804470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).