phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone

C20H21NO2 — CID 10614697

IUPACphenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
SMILESO=C(c1ccccc1)N1[C@@H](c2ccccc2)COC12CCCC2
InChIInChI=1S/C20H21NO2/c22-19(17-11-5-2-6-12-17)21-18(16-9-3-1-4-10-16)15-23-20(21)13-7-8-14-20/h1-6,9-12,18H,7-8,13-15H2/t18-/m1/s1
InChIKeyFHSROLICYADCRE-GOSISDBHSA-N
MW307.39 g/mol
LogP4.17
Rot. Bonds2

About phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone

phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone (PubChem CID 10614697) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
PubChem CID10614697
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Namephenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
SMILESO=C(c1ccccc1)N1[C@@H](c2ccccc2)COC12CCCC2
InChIInChI=1S/C20H21NO2/c22-19(17-11-5-2-6-12-17)21-18(16-9-3-1-4-10-16)15-23-20(21)13-7-8-14-20/h1-6,9-12,18H,7-8,13-15H2/t18-/m1/s1
InChIKeyFHSROLICYADCRE-GOSISDBHSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone
CID 101140234
[(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone
CID 10493667
(3S)-4-(4-phenylbenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657753
(3S)-4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657837
(3S)-4-(4-chlorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657713
4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360256
(3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657787
2-bromo-1-(7-phenyl-2,5-dioxa-8-azaspiro[3.4]octan-8-yl)ethanone
CID 175916163
4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110761
4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360265
4-(2-chlorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 24715382
(1S,4R,8R)-9-benzoyl-4-phenyl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155502770

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone?
The IUPAC name of phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone (CID 10614697) is phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone.
What is the SMILES notation for phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone?
The canonical SMILES for phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone is O=C(c1ccccc1)N1[C@@H](c2ccccc2)COC12CCCC2.
What is the InChIKey of phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone?
The InChIKey is FHSROLICYADCRE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21NO2/c22-19(17-11-5-2-6-12-17)21-18(16-9-3-1-4-10-16)15-23-20(21)13-7-8-14-20/h1-6,9-12,18H,7-8,13-15H2/t18-/m1/s1.
What are the key properties of phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone?
phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone has a molecular weight of 307.39 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone is sourced from PubChem (CID 10614697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).