2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C21H30N2O4 — CID 91912612

IUPAC2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccccc1CCC(=O)N1CC(C(=O)N(C)C)C2(CCOCC2)C1
InChIInChI=1S/C21H30N2O4/c1-22(2)20(25)17-14-23(15-21(17)10-12-27-13-11-21)19(24)9-8-16-6-4-5-7-18(16)26-3/h4-7,17H,8-15H2,1-3H3
InChIKeyDBSSNAFASIGSQN-UHFFFAOYSA-N
MW374.48 g/mol
LogP1.97
Rot. Bonds5

About 2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912612) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912612
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccccc1CCC(=O)N1CC(C(=O)N(C)C)C2(CCOCC2)C1
InChIInChI=1S/C21H30N2O4/c1-22(2)20(25)17-14-23(15-21(17)10-12-27-13-11-21)19(24)9-8-16-6-4-5-7-18(16)26-3/h4-7,17H,8-15H2,1-3H3
InChIKeyDBSSNAFASIGSQN-UHFFFAOYSA-N
XLogP1.97
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912612) is 2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is COc1ccccc1CCC(=O)N1CC(C(=O)N(C)C)C2(CCOCC2)C1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is DBSSNAFASIGSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-22(2)20(25)17-14-23(15-21(17)10-12-27-13-11-21)19(24)9-8-16-6-4-5-7-18(16)26-3/h4-7,17H,8-15H2,1-3H3.
What are the key properties of 2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)propanoyl]-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).