4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C17H24N2O3 — CID 91917956

IUPAC4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOC1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C17H24N2O3/c1-21-15-7-12-22-17(13-15)8-10-19(11-9-17)16(20)18-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,20)
InChIKeyGHLLQQZQVVLKLQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.88
Rot. Bonds2

About 4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91917956) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91917956
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCOC1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C17H24N2O3/c1-21-15-7-12-22-17(13-15)8-10-19(11-9-17)16(20)18-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,20)
InChIKeyGHLLQQZQVVLKLQ-UHFFFAOYSA-N
XLogP2.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919901
4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide
CID 70742226
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
(4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 125461496
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917964
2-(3-fluorophenyl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91917976
(2-ethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91907679
(2-methoxyphenyl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918090
4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91917956) is 4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is COC1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of 4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is GHLLQQZQVVLKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-15-7-12-22-17(13-15)8-10-19(11-9-17)16(20)18-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,20).
What are the key properties of 4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91917956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).