6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane

C16H25NO2 — CID 82303326

IUPAC6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane
SMILESCCc1ccc(OC)c(CC2(C)CNCCOC2)c1
InChIInChI=1S/C16H25NO2/c1-4-13-5-6-15(18-3)14(9-13)10-16(2)11-17-7-8-19-12-16/h5-6,9,17H,4,7-8,10-12H2,1-3H3
InChIKeyHNTMKWHDOAJLRZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds4

About 6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane

6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane (PubChem CID 82303326) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane.

Molecular Properties

Compound Name6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane
PubChem CID82303326
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane
SMILESCCc1ccc(OC)c(CC2(C)CNCCOC2)c1
InChIInChI=1S/C16H25NO2/c1-4-13-5-6-15(18-3)14(9-13)10-16(2)11-17-7-8-19-12-16/h5-6,9,17H,4,7-8,10-12H2,1-3H3
InChIKeyHNTMKWHDOAJLRZ-UHFFFAOYSA-N
XLogP2.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorophenyl)methyl]-6-methyl-1,4-oxazepane
CID 82287149
6-[(2-methoxy-5-propan-2-ylphenyl)methyl]-6-methyl-1,4-diazepane
CID 98020438
3-[(5-ethyl-2-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116929960
1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837091
1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
CID 95448950
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane
CID 82486393
2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82090895
1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229991
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one
CID 82296410
2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine
CID 112518591

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane?
The IUPAC name of 6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane (CID 82303326) is 6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane.
What is the SMILES notation for 6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane?
The canonical SMILES for 6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane is CCc1ccc(OC)c(CC2(C)CNCCOC2)c1.
What is the InChIKey of 6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane?
The InChIKey is HNTMKWHDOAJLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-13-5-6-15(18-3)14(9-13)10-16(2)11-17-7-8-19-12-16/h5-6,9,17H,4,7-8,10-12H2,1-3H3.
What are the key properties of 6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane?
6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane has a molecular weight of 263.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane is sourced from PubChem (CID 82303326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).