N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide

C14H26N2O4 — CID 75367804

IUPACN,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@H]1COCCN(C2CCOCC2)C1
InChIInChI=1S/C14H26N2O4/c1-15(2)14(17)11-20-13-9-16(5-8-19-10-13)12-3-6-18-7-4-12/h12-13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyNHDDDMQLUPQRRN-CYBMUJFWSA-N
MW286.37 g/mol
LogP-0.03
Rot. Bonds4

About N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide

N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide (PubChem CID 75367804) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide
PubChem CID75367804
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@H]1COCCN(C2CCOCC2)C1
InChIInChI=1S/C14H26N2O4/c1-15(2)14(17)11-20-13-9-16(5-8-19-10-13)12-3-6-18-7-4-12/h12-13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyNHDDDMQLUPQRRN-CYBMUJFWSA-N
XLogP-0.03
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide (CID 75367804) is N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide is CN(C)C(=O)CO[C@H]1COCCN(C2CCOCC2)C1.
What is the InChIKey of N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide?
The InChIKey is NHDDDMQLUPQRRN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-15(2)14(17)11-20-13-9-16(5-8-19-10-13)12-3-6-18-7-4-12/h12-13H,3-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide?
N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide has a molecular weight of 286.37 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(6R)-4-(oxan-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide is sourced from PubChem (CID 75367804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).