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

C14H20N2O3 — CID 55154457

IUPAC(2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCOc1ccc(N)c(C(=O)N2CCCOC(C)C2)c1
InChIInChI=1S/C14H20N2O3/c1-10-9-16(6-3-7-19-10)14(17)12-8-11(18-2)4-5-13(12)15/h4-5,8,10H,3,6-7,9,15H2,1-2H3
InChIKeyYOUINZZHUWNIAL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.53
Rot. Bonds2

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

(2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 55154457) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID55154457
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCOc1ccc(N)c(C(=O)N2CCCOC(C)C2)c1
InChIInChI=1S/C14H20N2O3/c1-10-9-16(6-3-7-19-10)14(17)12-8-11(18-2)4-5-13(12)15/h4-5,8,10H,3,6-7,9,15H2,1-2H3
InChIKeyYOUINZZHUWNIAL-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'}

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Related Compounds

(2-amino-5-methoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55152751
(2-amino-5-nitrophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968890
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647327
(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987911
(4-amino-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987389
(2-amino-5-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 54878519
(4-amino-2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62986686
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
4-(2-amino-5-methoxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888081
(4-amino-2-chlorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119771955
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 55154457) is (2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is COc1ccc(N)c(C(=O)N2CCCOC(C)C2)c1.
What is the InChIKey of (2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is YOUINZZHUWNIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-9-16(6-3-7-19-10)14(17)12-8-11(18-2)4-5-13(12)15/h4-5,8,10H,3,6-7,9,15H2,1-2H3.
What are the key properties of (2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(2-amino-5-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 (2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 55154457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).