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

C20H28N2O3 — CID 91912598

IUPAC2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(C(=O)N2CC(C(=O)N(C)C)C3(CCOCC3)C2)c(C)c1
InChIInChI=1S/C20H28N2O3/c1-14-5-6-16(15(2)11-14)18(23)22-12-17(19(24)21(3)4)20(13-22)7-9-25-10-8-20/h5-6,11,17H,7-10,12-13H2,1-4H3
InChIKeyGXFHDTQPDHAPPW-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.26
Rot. Bonds2

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

2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912598) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912598
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(C(=O)N2CC(C(=O)N(C)C)C3(CCOCC3)C2)c(C)c1
InChIInChI=1S/C20H28N2O3/c1-14-5-6-16(15(2)11-14)18(23)22-12-17(19(24)21(3)4)20(13-22)7-9-25-10-8-20/h5-6,11,17H,7-10,12-13H2,1-4H3
InChIKeyGXFHDTQPDHAPPW-UHFFFAOYSA-N
XLogP2.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912598) is 2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(C(=O)N2CC(C(=O)N(C)C)C3(CCOCC3)C2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is GXFHDTQPDHAPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-5-6-16(15(2)11-14)18(23)22-12-17(19(24)21(3)4)20(13-22)7-9-25-10-8-20/h5-6,11,17H,7-10,12-13H2,1-4H3.
What are the key properties of 2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).