N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide

C18H25ClN2O4 — CID 125013799

About N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide (PubChem CID 125013799) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
• PubChem CID: 125013799
• Molecular Formula: C18H25ClN2O4
• Molecular Weight: 368.86 g/mol
• Exact Mass: 368.15
• IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
• SMILES: COc1ccc(NC(=O)CN2CC[C@]3(CCCO3)[C@H](OC)C2)cc1Cl
• InChI: InChI=1S/C18H25ClN2O4/c1-23-15-5-4-13(10-14(15)19)20-17(22)12-21-8-7-18(6-3-9-25-18)16(11-21)24-2/h4-5,10,16H,3,6-9,11-12H2,1-2H3,(H,20,22)/t16-,18-/m1/s1
• InChIKey: WHQYMNOGZUPWPM-SJLPKXTDSA-N
• XLogP: 2.56
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.86
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide (CID 125013799) is N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide.

What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide is COc1ccc(NC(=O)CN2CC[C@]3(CCCO3)[C@H](OC)C2)cc1Cl.

What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

The InChIKey is WHQYMNOGZUPWPM-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-23-15-5-4-13(10-14(15)19)20-17(22)12-21-8-7-18(6-3-9-25-18)16(11-21)24-2/h4-5,10,16H,3,6-9,11-12H2,1-2H3,(H,20,22)/t16-,18-/m1/s1.

What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?

N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 368.86 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 125013799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).