4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one

C12H22N2O2 — CID 22985028

IUPAC4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CCCCC2)C1=O
InChIInChI=1S/C12H22N2O2/c1-13-11-9-16-8-7-14(12(11)15)10-5-3-2-4-6-10/h10-11,13H,2-9H2,1H3
InChIKeyDAPMYSCPDPQVQD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds2

About 4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one

4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22985028) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22985028
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CCCCC2)C1=O
InChIInChI=1S/C12H22N2O2/c1-13-11-9-16-8-7-14(12(11)15)10-5-3-2-4-6-10/h10-11,13H,2-9H2,1H3
InChIKeyDAPMYSCPDPQVQD-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3226810
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CID 3229428
1-(Azepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 3229605
2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47006248
(2R)-2-acetamido-N-hexyl-3-methoxypropanamide
CID 132550888
1-(Azepan-1-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one
CID 60734501
(3S)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 100754653
(3R)-N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 100754660
1-(Azepan-1-yl)-2-[2-(2,2-difluoroethoxy)ethylamino]propan-1-one
CID 103080641
N-hexyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 119038239
N-cyclohexyl-N'-(2-methoxyethyl)ethanediamide
CID 2853953
3-Morpholin-4-ylazepan-2-one
CID 20564694

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one (CID 22985028) is 4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(C2CCCCC2)C1=O.
What is the InChIKey of 4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is DAPMYSCPDPQVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-11-9-16-8-7-14(12(11)15)10-5-3-2-4-6-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one?
4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22985028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).