(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

C14H20N2O3 — CID 62987911

IUPAC(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCOc1ccc(N)cc1C(=O)N1CCCOC(C)C1
InChIInChI=1S/C14H20N2O3/c1-10-9-16(6-3-7-19-10)14(17)12-8-11(15)4-5-13(12)18-2/h4-5,8,10H,3,6-7,9,15H2,1-2H3
InChIKeyZOKUAYADKZPWQF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.53
Rot. Bonds2

About (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 62987911) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID62987911
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCOc1ccc(N)cc1C(=O)N1CCCOC(C)C1
InChIInChI=1S/C14H20N2O3/c1-10-9-16(6-3-7-19-10)14(17)12-8-11(15)4-5-13(12)18-2/h4-5,8,10H,3,6-7,9,15H2,1-2H3
InChIKeyZOKUAYADKZPWQF-UHFFFAOYSA-N
XLogP1.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 62987911) is (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is COc1ccc(N)cc1C(=O)N1CCCOC(C)C1.
What is the InChIKey of (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is ZOKUAYADKZPWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-9-16(6-3-7-19-10)14(17)12-8-11(15)4-5-13(12)18-2/h4-5,8,10H,3,6-7,9,15H2,1-2H3.
What are the key properties of (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62987911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).