(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone

C17H23NO2 — CID 136545688

IUPAC(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc3c2CCCC3)CCCO1
InChIInChI=1S/C17H23NO2/c1-13-12-18(10-5-11-20-13)17(19)16-9-4-7-14-6-2-3-8-15(14)16/h4,7,9,13H,2-3,5-6,8,10-12H2,1H3
InChIKeyQURLWNNGWOJNOX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.82
Rot. Bonds1

About (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone

(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone (PubChem CID 136545688) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
PubChem CID136545688
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc3c2CCCC3)CCCO1
InChIInChI=1S/C17H23NO2/c1-13-12-18(10-5-11-20-13)17(19)16-9-4-7-14-6-2-3-8-15(14)16/h4,7,9,13H,2-3,5-6,8,10-12H2,1H3
InChIKeyQURLWNNGWOJNOX-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone with MolForge

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Related Compounds

(2-methyl-1,4-oxazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62973493
(2-fluoro-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 80712132
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone
CID 119564206
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968377
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610702
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973507

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone (CID 136545688) is (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone is CC1CN(C(=O)c2cccc3c2CCCC3)CCCO1.
What is the InChIKey of (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is QURLWNNGWOJNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-12-18(10-5-11-20-13)17(19)16-9-4-7-14-6-2-3-8-15(14)16/h4,7,9,13H,2-3,5-6,8,10-12H2,1H3.
What are the key properties of (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone?
(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 136545688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).