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

C20H30N2O3 — CID 97387454

IUPAC2-[[(4aS,8aS)-6-benzyl-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(Cc1ccccc1)C2
InChIInChI=1S/C20H30N2O3/c1-21(2)19(23)14-24-16-20-10-6-12-25-18(20)9-11-22(15-20)13-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-,20-/m0/s1
InChIKeyZVOMDBXBMKMDHQ-ICSRJNTNSA-N
MW346.47 g/mol
LogP2.16
Rot. Bonds6

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

2-[[(4aS,8aS)-6-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 97387454) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[[(4aS,8aS)-6-benzyl-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-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
PubChem CID97387454
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[[(4aS,8aS)-6-benzyl-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(Cc1ccccc1)C2
InChIInChI=1S/C20H30N2O3/c1-21(2)19(23)14-24-16-20-10-6-12-25-18(20)9-11-22(15-20)13-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-,20-/m0/s1
InChIKeyZVOMDBXBMKMDHQ-ICSRJNTNSA-N
XLogP2.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(4aS,8aS)-6-benzyl-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

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-[[(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
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
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
(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
2-[[(3aS,7aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide
CID 97422571
2-[[(4aR,8aS)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97363771
2-[[(4aS,8aR)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 98810648
2-[[(4aS,8aR)-6-ethylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 98816431
4a-(ethoxymethyl)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155832725

Frequently Asked Questions

What is the IUPAC name of 2-[[(4aS,8aS)-6-benzyl-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-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide (CID 97387454) is 2-[[(4aS,8aS)-6-benzyl-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-benzyl-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-benzyl-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(Cc1ccccc1)C2.
What is the InChIKey of 2-[[(4aS,8aS)-6-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is ZVOMDBXBMKMDHQ-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-21(2)19(23)14-24-16-20-10-6-12-25-18(20)9-11-22(15-20)13-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-,20-/m0/s1.
What are the key properties of 2-[[(4aS,8aS)-6-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide?
2-[[(4aS,8aS)-6-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 346.47 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aS,8aS)-6-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 97387454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).