N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C14H20N2O3 — CID 131648483

IUPACN-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCNC(=O)C1CC2CN(Cc3ccc(C)o3)CC1O2
InChIInChI=1S/C14H20N2O3/c1-9-3-4-10(18-9)6-16-7-11-5-12(14(17)15-2)13(8-16)19-11/h3-4,11-13H,5-8H2,1-2H3,(H,15,17)
InChIKeyBGEGJRGVHNUWEA-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.92
Rot. Bonds3

About N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 131648483) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID131648483
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCNC(=O)C1CC2CN(Cc3ccc(C)o3)CC1O2
InChIInChI=1S/C14H20N2O3/c1-9-3-4-10(18-9)6-16-7-11-5-12(14(17)15-2)13(8-16)19-11/h3-4,11-13H,5-8H2,1-2H3,(H,15,17)
InChIKeyBGEGJRGVHNUWEA-UHFFFAOYSA-N
XLogP0.92
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5S,6S)-3-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155851330
(1S,5R,6S)-3-benzyl-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155553389
3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 131644773
(1S,5S,6S)-3-benzyl-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98780108
(1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98780452
(1S,5R,6R)-N-benzyl-3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133140006
(2R,3aR,6aR)-N-methyl-5-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861363
(3S,4S)-1-[(5-methylfuran-2-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72907448
N-methyl-3-(3-methylbutyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155832550
N-methyl-3-(6-methylpyridine-3-carbonyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155876774
(1R,5S,6S)-3-[(4-methylphenyl)methyl]-N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155851078
2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
CID 97476307

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 131648483) is N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is CNC(=O)C1CC2CN(Cc3ccc(C)o3)CC1O2.
What is the InChIKey of N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is BGEGJRGVHNUWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-3-4-10(18-9)6-16-7-11-5-12(14(17)15-2)13(8-16)19-11/h3-4,11-13H,5-8H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 131648483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).