4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C18H27N3O2 — CID 91919087

IUPAC4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)C1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C18H27N3O2/c1-20(2)16-8-13-23-18(14-16)9-11-21(12-10-18)17(22)19-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,19,22)
InChIKeyAYSQFODSEGXRNS-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.79
Rot. Bonds2

About 4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91919087) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91919087
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)C1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C18H27N3O2/c1-20(2)16-8-13-23-18(14-16)9-11-21(12-10-18)17(22)19-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,19,22)
InChIKeyAYSQFODSEGXRNS-UHFFFAOYSA-N
XLogP2.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919901
4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91917956
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
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 131648665
4-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile
CID 133139578
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
CID 131691635
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-fluorophenyl)ethanone;2,2,2-trifluoroacetic acid
CID 155865264
N-[(4S)-9-(4-benzyl-1-methylpiperidine-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 124990915
1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91919087) is 4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is CN(C)C1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of 4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is AYSQFODSEGXRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20(2)16-8-13-23-18(14-16)9-11-21(12-10-18)17(22)19-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,19,22).
What are the key properties of 4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91919087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).