N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide

C18H25NO4 — CID 129198362

IUPACN-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide
SMILESCC[C@H]1OC[C@]2(CN(C)C(=O)c3ccccc3)OC(C)(C)O[C@H]12
InChIInChI=1S/C18H25NO4/c1-5-14-15-18(12-21-14,23-17(2,3)22-15)11-19(4)16(20)13-9-7-6-8-10-13/h6-10,14-15H,5,11-12H2,1-4H3/t14-,15-,18+/m1/s1
InChIKeyVGFFUXODBHQFGZ-RKVPGOIHSA-N
MW319.40 g/mol
LogP2.46
Rot. Bonds4

About N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide

N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide (PubChem CID 129198362) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide
PubChem CID129198362
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC NameN-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide
SMILESCC[C@H]1OC[C@]2(CN(C)C(=O)c3ccccc3)OC(C)(C)O[C@H]12
InChIInChI=1S/C18H25NO4/c1-5-14-15-18(12-21-14,23-17(2,3)22-15)11-19(4)16(20)13-9-7-6-8-10-13/h6-10,14-15H,5,11-12H2,1-4H3/t14-,15-,18+/m1/s1
InChIKeyVGFFUXODBHQFGZ-RKVPGOIHSA-N
XLogP2.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide (CID 129198362) is N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide is CC[C@H]1OC[C@]2(CN(C)C(=O)c3ccccc3)OC(C)(C)O[C@H]12.
What is the InChIKey of N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide?
The InChIKey is VGFFUXODBHQFGZ-RKVPGOIHSA-N. The full InChI is InChI=1S/C18H25NO4/c1-5-14-15-18(12-21-14,23-17(2,3)22-15)11-19(4)16(20)13-9-7-6-8-10-13/h6-10,14-15H,5,11-12H2,1-4H3/t14-,15-,18+/m1/s1.
What are the key properties of N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide?
N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide has a molecular weight of 319.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 129198362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).