[2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate

C22H38N2O6 — CID 157162598

IUPAC[2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate
SMILESCC(=O)NC1C(C)OC(CNC(=O)CC2OC(C)CC(OC(C)=O)C2C)C(C)C1C
InChIInChI=1S/C22H38N2O6/c1-11-8-18(30-17(7)26)14(4)19(28-11)9-21(27)23-10-20-12(2)13(3)22(15(5)29-20)24-16(6)25/h11-15,18-20,22H,8-10H2,1-7H3,(H,23,27)(H,24,25)
InChIKeyNRBZIQHXWIPCDA-UHFFFAOYSA-N
MW426.55 g/mol
LogP1.80
Rot. Bonds6

About [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate

[2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate (PubChem CID 157162598) has the molecular formula C22H38N2O6 and a molecular weight of 426.55 g/mol. Its IUPAC name is [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate.

Molecular Properties

Compound Name[2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate
PubChem CID157162598
Molecular FormulaC22H38N2O6
Molecular Weight426.55 g/mol
Exact Mass426.27
IUPAC Name[2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate
SMILESCC(=O)NC1C(C)OC(CNC(=O)CC2OC(C)CC(OC(C)=O)C2C)C(C)C1C
InChIInChI=1S/C22H38N2O6/c1-11-8-18(30-17(7)26)14(4)19(28-11)9-21(27)23-10-20-12(2)13(3)22(15(5)29-20)24-16(6)25/h11-15,18-20,22H,8-10H2,1-7H3,(H,23,27)(H,24,25)
InChIKeyNRBZIQHXWIPCDA-UHFFFAOYSA-N
XLogP1.80
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane
CID 160503920
[(3S,4S)-5-acetamido-4-acetyloxy-2-ethyl-6-methyloxan-3-yl] acetate
CID 129087954
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 134202816
(4,6-diacetyloxy-3-methyloxan-2-yl)methyl acetate
CID 58326005
[(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate
CID 134194797
[(3S)-5-acetamido-2-ethyl-3-ethynylperoxy-6-methyloxan-4-yl] acetate
CID 59972998
N-[(2S,3S,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 134413631
N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 134413629
[(3S,5S,6R)-5-acetamido-6-acetyloxy-4-methyl-3-(trioxidanyl)oxan-2-yl]methyl acetate
CID 130375689
[(3R,4S)-5-acetamido-2-(azidomethyl)-6-hydroxy-3-methyloxan-4-yl] acetate
CID 122493863
[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate
CID 10037500
[(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate
CID 163977014

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate?
The IUPAC name of [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate (CID 157162598) is [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate.
What is the SMILES notation for [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate?
The canonical SMILES for [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate is CC(=O)NC1C(C)OC(CNC(=O)CC2OC(C)CC(OC(C)=O)C2C)C(C)C1C.
What is the InChIKey of [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate?
The InChIKey is NRBZIQHXWIPCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O6/c1-11-8-18(30-17(7)26)14(4)19(28-11)9-21(27)23-10-20-12(2)13(3)22(15(5)29-20)24-16(6)25/h11-15,18-20,22H,8-10H2,1-7H3,(H,23,27)(H,24,25).
What are the key properties of [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate?
[2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate has a molecular weight of 426.55 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(5-acetamido-3,4,6-trimethyloxan-2-yl)methylamino]-2-oxoethyl]-3,6-dimethyloxan-4-yl] acetate is sourced from PubChem (CID 157162598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).