N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide

C16H26N2O4 — CID 97379853

IUPACN-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
SMILESCOCC(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](NC(=O)CC2CC2)C1
InChIInChI=1S/C16H26N2O4/c1-21-10-15(20)18-8-12-3-2-6-22-16(12)13(9-18)17-14(19)7-11-4-5-11/h11-13,16H,2-10H2,1H3,(H,17,19)/t12-,13+,16-/m0/s1
InChIKeyWYJBZDLYJBXLHX-ZENOOKHLSA-N
MW310.39 g/mol
LogP0.56
Rot. Bonds5

About N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide

N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide (PubChem CID 97379853) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
PubChem CID97379853
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
SMILESCOCC(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](NC(=O)CC2CC2)C1
InChIInChI=1S/C16H26N2O4/c1-21-10-15(20)18-8-12-3-2-6-22-16(12)13(9-18)17-14(19)7-11-4-5-11/h11-13,16H,2-10H2,1H3,(H,17,19)/t12-,13+,16-/m0/s1
InChIKeyWYJBZDLYJBXLHX-ZENOOKHLSA-N
XLogP0.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide with MolForge

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Related Compounds

1-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methoxyethanone
CID 130657748
1-[(4aS,8R,8aS)-8-[(6-methylpyridazin-3-yl)amino]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid
CID 155828783
N-[(4aS,8R,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide;2,2,2-trifluoroacetic acid
CID 155849020
N-(2-cyclopropyloxolan-3-yl)-2-methoxyacetamide
CID 103864240
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methoxyethanone
CID 61277574
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclopentylacetamide
CID 66211728
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide
CID 103165028
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
4-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91916509
(3R,4R)-1-acetyl-4-[(2-cyclopentylacetyl)amino]-N-methylpyrrolidine-3-carboxamide
CID 110107585
2-methoxy-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 81205521

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
The IUPAC name of N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide (CID 97379853) is N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
The canonical SMILES for N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide is COCC(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](NC(=O)CC2CC2)C1.
What is the InChIKey of N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
The InChIKey is WYJBZDLYJBXLHX-ZENOOKHLSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-21-10-15(20)18-8-12-3-2-6-22-16(12)13(9-18)17-14(19)7-11-4-5-11/h11-13,16H,2-10H2,1H3,(H,17,19)/t12-,13+,16-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide has a molecular weight of 310.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-(2-methoxyacetyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide is sourced from PubChem (CID 97379853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).