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

C21H30N2O3 — CID 91912607

IUPACN,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)CCCc2ccccc2)CC12CCOCC2
InChIInChI=1S/C21H30N2O3/c1-22(2)20(25)18-15-23(16-21(18)11-13-26-14-12-21)19(24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3
InChIKeyCAXXOHBFLRNLDV-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.35
Rot. Bonds5

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

N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912607) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912607
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)CCCc2ccccc2)CC12CCOCC2
InChIInChI=1S/C21H30N2O3/c1-22(2)20(25)18-15-23(16-21(18)11-13-26-14-12-21)19(24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3
InChIKeyCAXXOHBFLRNLDV-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912607) is N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CN(C)C(=O)C1CN(C(=O)CCCc2ccccc2)CC12CCOCC2.
What is the InChIKey of N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is CAXXOHBFLRNLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-22(2)20(25)18-15-23(16-21(18)11-13-26-14-12-21)19(24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-phenylbutanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).