2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C20H28N2O3 — CID 118739578

IUPAC2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)Cc2ccccc2)CC12CCOCC2
InChIInChI=1S/C20H28N2O3/c1-15(2)21-19(24)17-13-22(14-20(17)8-10-25-11-9-20)18(23)12-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,24)
InChIKeyPHHCLTSXMYHBDN-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.01
Rot. Bonds4

About 2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118739578) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118739578
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)Cc2ccccc2)CC12CCOCC2
InChIInChI=1S/C20H28N2O3/c1-15(2)21-19(24)17-13-22(14-20(17)8-10-25-11-9-20)18(23)12-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,24)
InChIKeyPHHCLTSXMYHBDN-UHFFFAOYSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118739578) is 2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CC(C)NC(=O)C1CN(C(=O)Cc2ccccc2)CC12CCOCC2.
What is the InChIKey of 2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is PHHCLTSXMYHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(2)21-19(24)17-13-22(14-20(17)8-10-25-11-9-20)18(23)12-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118739578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).