(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone

C19H30N2O4 — CID 110196162

IUPAC(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
SMILESCOCCn1c(C)cc(C(=O)N2CCC3(CC2)CC(O)CCO3)c1C
InChIInChI=1S/C19H30N2O4/c1-14-12-17(15(2)21(14)9-11-24-3)18(23)20-7-5-19(6-8-20)13-16(22)4-10-25-19/h12,16,22H,4-11,13H2,1-3H3
InChIKeyBVWGRGNCWFBNIB-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.90
Rot. Bonds4

About (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone

(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone (PubChem CID 110196162) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
PubChem CID110196162
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
SMILESCOCCn1c(C)cc(C(=O)N2CCC3(CC2)CC(O)CCO3)c1C
InChIInChI=1S/C19H30N2O4/c1-14-12-17(15(2)21(14)9-11-24-3)18(23)20-7-5-19(6-8-20)13-16(22)4-10-25-19/h12,16,22H,4-11,13H2,1-3H3
InChIKeyBVWGRGNCWFBNIB-UHFFFAOYSA-N
XLogP1.90
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R*,4S*)-3,4-dimethyl-1-[(1,2,5-trimethyl-1H-pyrrol-3-yl)carbonyl]piperidin-4-ol
CID 70748471
3-{(3R*,4S*)-4-morpholin-4-yl-1-[(1,2,5-trimethyl-1H-pyrrol-3-yl)carbonyl]piperidin-3-yl}propan-1-ol
CID 72857332
[(4aS,8R,8aS)-8-[methyl(propan-2-yl)amino]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 97387566
4-(2-Methoxyethoxy)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidine
CID 91918283
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 72923600
9-(Hydroxymethyl)-5-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201504
(2,5-Dimethyl-1-propan-2-ylpyrrol-3-yl)-morpholin-4-ylmethanone
CID 40233384
(2,6-Dimethylmorpholin-4-yl)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methanone
CID 42885638
1,5-anhydro-2,3-dideoxy-3-{[(1,2,5-trimethyl-1H-pyrrol-3-yl)carbonyl]amino}-D-threo-pentitol
CID 91768875
trans-4-ethoxy-1-[(1,2,5-trimethyl-1H-pyrrol-3-yl)carbonyl]pyrrolidin-3-ol
CID 91791265
3-[(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidin-3-yl]propanoic acid
CID 97801312
1-(3-Methoxypropyl)-2,5-dimethyl-N-[2-(morpholin-4-YL)ethyl]-N-(oxan-4-YL)-1H-pyrrole-3-carboxamide
CID 132340039

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The IUPAC name of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone (CID 110196162) is (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone.
What is the SMILES notation for (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The canonical SMILES for (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone is COCCn1c(C)cc(C(=O)N2CCC3(CC2)CC(O)CCO3)c1C.
What is the InChIKey of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The InChIKey is BVWGRGNCWFBNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-14-12-17(15(2)21(14)9-11-24-3)18(23)20-7-5-19(6-8-20)13-16(22)4-10-25-19/h12,16,22H,4-11,13H2,1-3H3.
What are the key properties of (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone is sourced from PubChem (CID 110196162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).