8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

C16H20N2O3 — CID 61006257

IUPAC8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCOc1ccccc1NC1(C#N)CCC2(CC1)OCCO2
InChIInChI=1S/C16H20N2O3/c1-19-14-5-3-2-4-13(14)18-15(12-17)6-8-16(9-7-15)20-10-11-21-16/h2-5,18H,6-11H2,1H3
InChIKeyLAPVMAHDQAMEFT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.69
Rot. Bonds3

About 8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (PubChem CID 61006257) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
PubChem CID61006257
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCOc1ccccc1NC1(C#N)CCC2(CC1)OCCO2
InChIInChI=1S/C16H20N2O3/c1-19-14-5-3-2-4-13(14)18-15(12-17)6-8-16(9-7-15)20-10-11-21-16/h2-5,18H,6-11H2,1H3
InChIKeyLAPVMAHDQAMEFT-UHFFFAOYSA-N
XLogP2.69
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 60987198
3-(2-methoxyanilino)-5-methylthiolane-3-carbonitrile
CID 79949762
2-(2-methoxyanilino)bicyclo[3.1.0]hexane-2-carbonitrile
CID 112740282
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
methyl 4-(2-methoxyanilino)piperidine-4-carboxylate
CID 61245036
1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 61006030
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
CID 54890268
1-(2-bromoanilino)-3,3-dimethylcyclopentane-1-carbonitrile
CID 80704969
4-(2-bromoanilino)piperidine-4-carbonitrile
CID 61244841
N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43202101

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CID 61006257) is 8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is COc1ccccc1NC1(C#N)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is LAPVMAHDQAMEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-14-5-3-2-4-13(14)18-15(12-17)6-8-16(9-7-15)20-10-11-21-16/h2-5,18H,6-11H2,1H3.
What are the key properties of 8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 61006257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).