(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

C15H22N2O3 — CID 107404373

IUPAC(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(C)(O)CC2)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-15(19)6-3-8-17(9-7-15)14(18)12-5-4-11(20-2)10-13(12)16/h4-5,10,19H,3,6-9,16H2,1-2H3
InChIKeyIJSUHEPHMHSDGZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.65
Rot. Bonds2

About (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404373) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404373
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(C)(O)CC2)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-15(19)6-3-8-17(9-7-15)14(18)12-5-4-11(20-2)10-13(12)16/h4-5,10,19H,3,6-9,16H2,1-2H3
InChIKeyIJSUHEPHMHSDGZ-UHFFFAOYSA-N
XLogP1.65
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
(2-amino-4-methoxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355975
(2-hydroxy-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404889
(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404168
(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 115413231
1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 115413220
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870
(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 115413028
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
(2-hydroxy-5-methoxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875374
1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 115413219

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404373) is (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is COc1ccc(C(=O)N2CCCC(C)(O)CC2)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is IJSUHEPHMHSDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(19)6-3-8-17(9-7-15)14(18)12-5-4-11(20-2)10-13(12)16/h4-5,10,19H,3,6-9,16H2,1-2H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).