N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C16H28N2O3 — CID 75495442

IUPACN-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCC(CC1CCCO1)NC(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-13(11-14-5-4-9-20-14)17-15(19)18-8-10-21-16(12-18)6-2-3-7-16/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeyACGFEQZRGXAGLV-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.30
Rot. Bonds3

About N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 75495442) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID75495442
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCC(CC1CCCO1)NC(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-13(11-14-5-4-9-20-14)17-15(19)18-8-10-21-16(12-18)6-2-3-7-16/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeyACGFEQZRGXAGLV-UHFFFAOYSA-N
XLogP2.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 75495442) is N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is CC(CC1CCCO1)NC(=O)N1CCOC2(CCCC2)C1.
What is the InChIKey of N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is ACGFEQZRGXAGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(11-14-5-4-9-20-14)17-15(19)18-8-10-21-16(12-18)6-2-3-7-16/h13-14H,2-12H2,1H3,(H,17,19).
What are the key properties of N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 75495442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).