2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide

C18H28N2O4 — CID 97379683

IUPAC2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1ccco1)C2
InChIInChI=1S/C18H28N2O4/c1-19(2)17(21)12-22-14-18-7-4-10-24-16(18)6-8-20(13-18)11-15-5-3-9-23-15/h3,5,9,16H,4,6-8,10-14H2,1-2H3/t16-,18-/m0/s1
InChIKeyURLQMFVWMVMKQN-WMZOPIPTSA-N
MW336.43 g/mol
LogP1.76
Rot. Bonds6

About 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide

2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 97379683) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
PubChem CID97379683
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1ccco1)C2
InChIInChI=1S/C18H28N2O4/c1-19(2)17(21)12-22-14-18-7-4-10-24-16(18)6-8-20(13-18)11-15-5-3-9-23-15/h3,5,9,16H,4,6-8,10-14H2,1-2H3/t16-,18-/m0/s1
InChIKeyURLQMFVWMVMKQN-WMZOPIPTSA-N
XLogP1.76
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

(4aS,8aS)-4a-(ethoxymethyl)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97379525
2-[[(4aS,8aS)-6-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97387454
(4aR,8aS)-6-(furan-2-ylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97379448
N,N-dimethyl-2-[[6-[(5-methylfuran-2-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
CID 171673158
2-[[6-(furan-2-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 131650789
2-[[(4aS,8aR)-6-(furan-2-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97379697
2-[[(4aR,8aS)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97363759
2-[[(4aR,8aR)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97379706
4a-(cyclopropylmethoxymethyl)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155859538
6-(furan-2-ylmethyl)-4a-(pyridin-3-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 134074559
(4aR,8aR)-4a-[[2-(dimethylamino)-2-oxoethoxy]methyl]-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
CID 97379718
6-(furan-2-ylmethyl)-4a-(pyridin-2-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131651459

Frequently Asked Questions

What is the IUPAC name of 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide (CID 97379683) is 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1ccco1)C2.
What is the InChIKey of 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is URLQMFVWMVMKQN-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-19(2)17(21)12-22-14-18-7-4-10-24-16(18)6-8-20(13-18)11-15-5-3-9-23-15/h3,5,9,16H,4,6-8,10-14H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide?
2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 336.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 97379683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).