ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate

C24H32N2O7 — CID 23922777

About ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate

ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate (PubChem CID 23922777) has the molecular formula C24H32N2O7 and a molecular weight of 460.53 g/mol. Its IUPAC name is ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
• PubChem CID: 23922777
• Molecular Formula: C24H32N2O7
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.22
• IUPAC Name: ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
• SMILES: CCOC(=O)[C@@H]1[C@H]2C(=O)N(CCCO)C(C(=O)Nc3ccc(OC)cc3)C23CC(C)[C@@]1(C)O3
• InChI: InChI=1S/C24H32N2O7/c1-5-32-22(30)18-17-21(29)26(11-6-12-27)19(24(17)13-14(2)23(18,3)33-24)20(28)25-15-7-9-16(31-4)10-8-15/h7-10,14,17-19,27H,5-6,11-13H2,1-4H3,(H,25,28)/t14?,17-,18-,19?,23+,24?/m0/s1
• InChIKey: ANZPOVZAIGYXFB-UPJXCXMZSA-N
• XLogP: 1.59
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

The IUPAC name of ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate (CID 23922777) is ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate.

What is the SMILES notation for ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

The canonical SMILES for ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate is CCOC(=O)[C@@H]1[C@H]2C(=O)N(CCCO)C(C(=O)Nc3ccc(OC)cc3)C23CC(C)[C@@]1(C)O3.

What is the InChIKey of ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

The InChIKey is ANZPOVZAIGYXFB-UPJXCXMZSA-N. The full InChI is InChI=1S/C24H32N2O7/c1-5-32-22(30)18-17-21(29)26(11-6-12-27)19(24(17)13-14(2)23(18,3)33-24)20(28)25-15-7-9-16(31-4)10-8-15/h7-10,14,17-19,27H,5-6,11-13H2,1-4H3,(H,25,28)/t14?,17-,18-,19?,23+,24?/m0/s1.

What are the key properties of ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate has a molecular weight of 460.53 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5R,6R,7R)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate is sourced from PubChem (CID 23922777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).