N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide

C19H27N3O4 — CID 110167305

IUPACN-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESCOC1CN(CC(=O)Nc2ccc(NC(C)=O)cc2)CCC12CCCO2
InChIInChI=1S/C19H27N3O4/c1-14(23)20-15-4-6-16(7-5-15)21-18(24)13-22-10-9-19(8-3-11-26-19)17(12-22)25-2/h4-7,17H,3,8-13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDDPFZCAEDQBDIZ-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.85
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide

N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide (PubChem CID 110167305) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
PubChem CID110167305
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESCOC1CN(CC(=O)Nc2ccc(NC(C)=O)cc2)CCC12CCCO2
InChIInChI=1S/C19H27N3O4/c1-14(23)20-15-4-6-16(7-5-15)21-18(24)13-22-10-9-19(8-3-11-26-19)17(12-22)25-2/h4-7,17H,3,8-13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDDPFZCAEDQBDIZ-UHFFFAOYSA-N
XLogP1.85
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide (CID 110167305) is N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide is COC1CN(CC(=O)Nc2ccc(NC(C)=O)cc2)CCC12CCCO2.
What is the InChIKey of N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is DDPFZCAEDQBDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14(23)20-15-4-6-16(7-5-15)21-18(24)13-22-10-9-19(8-3-11-26-19)17(12-22)25-2/h4-7,17H,3,8-13H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide?
N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 361.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 110167305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).