(3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide

C12H24N2O3 — CID 118882622

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide
SMILESC[C@H](CCN1CCCOCC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H24N2O3/c1-10(11(15)9-12(13)16)3-5-14-4-2-7-17-8-6-14/h10-11,15H,2-9H2,1H3,(H2,13,16)/t10-,11+/m1/s1
InChIKeyOIPDIPLVOYSXDV-MNOVXSKESA-N
MW244.33 g/mol
LogP-0.03
Rot. Bonds6

About (3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide

(3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide (PubChem CID 118882622) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide
PubChem CID118882622
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide
SMILESC[C@H](CCN1CCCOCC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H24N2O3/c1-10(11(15)9-12(13)16)3-5-14-4-2-7-17-8-6-14/h10-11,15H,2-9H2,1H3,(H2,13,16)/t10-,11+/m1/s1
InChIKeyOIPDIPLVOYSXDV-MNOVXSKESA-N
XLogP-0.03
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
(3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide
CID 118888252
4-[4-(1,4-oxazepan-4-yl)butan-2-yl]aniline
CID 113419983
(E,3S,4R)-3-hydroxy-4-methyl-7-morpholin-4-ylhept-5-enamide
CID 118882685
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
2,3-dimethyl-5-piperidin-1-ylpentanamide
CID 123521820
N-ethyl-4-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987293
(3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide
CID 118374751
4-methyl-6-morpholin-4-ylhexan-3-one
CID 79416722
2-methyl-4-morpholin-4-ylbutanoate;hydrochloride
CID 23621496
4-(1,4-oxazepan-4-yl)-2-(propylamino)butanoic acid
CID 55142794

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide (CID 118882622) is (3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide is C[C@H](CCN1CCCOCC1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide?
The InChIKey is OIPDIPLVOYSXDV-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(11(15)9-12(13)16)3-5-14-4-2-7-17-8-6-14/h10-11,15H,2-9H2,1H3,(H2,13,16)/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide has a molecular weight of 244.33 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide is sourced from PubChem (CID 118882622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).