(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C15H20N2O4 — CID 66392049

IUPAC(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1cc(N)c(C(=O)N2CC3CCC(C2)O3)cc1OC
InChIInChI=1S/C15H20N2O4/c1-19-13-5-11(12(16)6-14(13)20-2)15(18)17-7-9-3-4-10(8-17)21-9/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyFJHMSYOBNQECKF-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.29
Rot. Bonds3

About (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66392049) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66392049
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1cc(N)c(C(=O)N2CC3CCC(C2)O3)cc1OC
InChIInChI=1S/C15H20N2O4/c1-19-13-5-11(12(16)6-14(13)20-2)15(18)17-7-9-3-4-10(8-17)21-9/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyFJHMSYOBNQECKF-UHFFFAOYSA-N
XLogP1.29
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115413472
(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66393989
(2-amino-4,5-dimethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211722
(2-amino-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43246100
[5-amino-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-methoxyphenyl] acetate
CID 153370009
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
(2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689862
(2-amino-4,5-dimethoxyphenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 16782848
4-(2-amino-4,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 79662458
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119669799
(2-amino-4,5-dimethoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210017
(2-methyl-5-sulfanylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107031826

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66392049) is (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is COc1cc(N)c(C(=O)N2CC3CCC(C2)O3)cc1OC.
What is the InChIKey of (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is FJHMSYOBNQECKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-19-13-5-11(12(16)6-14(13)20-2)15(18)17-7-9-3-4-10(8-17)21-9/h5-6,9-10H,3-4,7-8,16H2,1-2H3.
What are the key properties of (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 292.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66392049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).