(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone

C17H24N2O2 — CID 115413231

IUPAC(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCC3)CC2)c(N)c1
InChIInChI=1S/C17H24N2O2/c1-21-13-4-5-14(15(18)12-13)16(20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11,18H2,1H3
InChIKeyLYHZTPPQETZXQB-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.07
Rot. Bonds2

About (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone

(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 115413231) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID115413231
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CCCC3)CC2)c(N)c1
InChIInChI=1S/C17H24N2O2/c1-21-13-4-5-14(15(18)12-13)16(20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11,18H2,1H3
InChIKeyLYHZTPPQETZXQB-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Related Compounds

(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404373
(2-amino-4-methoxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355975
(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 115413028
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 115413220
(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63156948
1-(2-amino-4-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 115413224
1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 115413219
(2-amino-4-methoxyphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409259
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone (CID 115413231) is (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone is COc1ccc(C(=O)N2CCC3(CCCC3)CC2)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is LYHZTPPQETZXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-13-4-5-14(15(18)12-13)16(20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11,18H2,1H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 115413231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).