methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one

C18H22N2O3 — CID 178178248

IUPACmethanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one
SMILESCN.O=C1NCCCOC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H17NO3.CH5N/c19-17-16(20-11-5-10-18-17)13-6-4-9-15(12-13)21-14-7-2-1-3-8-14;1-2/h1-4,6-9,12,16H,5,10-11H2,(H,18,19);2H2,1H3
InChIKeyDPXNOAVMZCQWDL-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.63
Rot. Bonds3

About methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one

methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one (PubChem CID 178178248) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one.

Molecular Properties

Compound Namemethanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one
PubChem CID178178248
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Namemethanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one
SMILESCN.O=C1NCCCOC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H17NO3.CH5N/c19-17-16(20-11-5-10-18-17)13-6-4-9-15(12-13)21-14-7-2-1-3-8-14;1-2/h1-4,6-9,12,16H,5,10-11H2,(H,18,19);2H2,1H3
InChIKeyDPXNOAVMZCQWDL-UHFFFAOYSA-N
XLogP2.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 166109931
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4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one
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(5S)-3-methyl-5-(3-phenoxyphenyl)cyclohex-2-en-1-one
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2-ethyl-3-(3-phenoxyphenyl)pyrrolidine
CID 63468592
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CID 11245263
2-(4-aminophenyl)morpholin-3-one
CID 82647280
2-(3-phenoxyphenyl)-1,3-thiazinane
CID 66219243
3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one
CID 10754217
dimethyl 1-(oxolan-2-ylmethyl)-4-(3-phenoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2906276
(2R)-2-(3-pyridin-4-yloxyphenyl)morpholine
CID 171653433

Frequently Asked Questions

What is the IUPAC name of methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one?
The IUPAC name of methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one (CID 178178248) is methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one.
What is the SMILES notation for methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one?
The canonical SMILES for methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one is CN.O=C1NCCCOC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one?
The InChIKey is DPXNOAVMZCQWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3.CH5N/c19-17-16(20-11-5-10-18-17)13-6-4-9-15(12-13)21-14-7-2-1-3-8-14;1-2/h1-4,6-9,12,16H,5,10-11H2,(H,18,19);2H2,1H3.
What are the key properties of methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one?
methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one has a molecular weight of 314.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-(3-phenoxyphenyl)-1,4-oxazepan-3-one is sourced from PubChem (CID 178178248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).