(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone

C26H35N3O3 — CID 71665898

IUPAC(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3NC(C)C)CC2)C1
InChIInChI=1S/C26H35N3O3/c1-4-31-21-17-23(20-9-6-5-7-10-20)32-26(18-21)12-15-29(16-13-26)25(30)22-11-8-14-27-24(22)28-19(2)3/h5-11,14,19,21,23H,4,12-13,15-18H2,1-3H3,(H,27,28)
InChIKeyHZQOSHIDJHNSFF-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.83
Rot. Bonds6

About (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone

(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone (PubChem CID 71665898) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
PubChem CID71665898
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3NC(C)C)CC2)C1
InChIInChI=1S/C26H35N3O3/c1-4-31-21-17-23(20-9-6-5-7-10-20)32-26(18-21)12-15-29(16-13-26)25(30)22-11-8-14-27-24(22)28-19(2)3/h5-11,14,19,21,23H,4,12-13,15-18H2,1-3H3,(H,27,28)
InChIKeyHZQOSHIDJHNSFF-UHFFFAOYSA-N
XLogP4.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 71668107
(3,5-dimethoxy-4-methylphenyl)-[(2R,4R)-4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 126740904
(3,4-difluoro-2-methoxyphenyl)-(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 71666938
(3,5-difluoro-2-methoxyphenyl)-(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 71666200
(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-methoxy-5-methyl-3-pyridinyl)methanone
CID 71667074
(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-methyl-5-phenyl-2H-pyrrol-3-yl)methanone
CID 123690648
(4-chloro-3-methylphenyl)-(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 123839158
[(2S,4S)-4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
CID 126740923
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576
3,4-dihydro-2H-chromen-8-yl-(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methoxy-3-methylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-methoxyphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-methylphenyl)methanone
CID 159208352
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 154566554
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone (CID 71665898) is (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone is CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3NC(C)C)CC2)C1.
What is the InChIKey of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The InChIKey is HZQOSHIDJHNSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-4-31-21-17-23(20-9-6-5-7-10-20)32-26(18-21)12-15-29(16-13-26)25(30)22-11-8-14-27-24(22)28-19(2)3/h5-11,14,19,21,23H,4,12-13,15-18H2,1-3H3,(H,27,28).
What are the key properties of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone has a molecular weight of 437.58 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 71665898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).