N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide

C12H18N2O2 — CID 66187304

IUPACN-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(C)C2CNC2)c1C
InChIInChI=1S/C12H18N2O2/c1-7-8(2)16-9(3)11(7)12(15)14(4)10-5-13-6-10/h10,13H,5-6H2,1-4H3
InChIKeyZCVRJKRZEYIGSK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.25
Rot. Bonds2

About N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide

N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide (PubChem CID 66187304) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide
PubChem CID66187304
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(C)C2CNC2)c1C
InChIInChI=1S/C12H18N2O2/c1-7-8(2)16-9(3)11(7)12(15)14(4)10-5-13-6-10/h10,13H,5-6H2,1-4H3
InChIKeyZCVRJKRZEYIGSK-UHFFFAOYSA-N
XLogP1.25
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,4,5-trimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 79702128
N,3,5-trimethyl-N-pyrrolidin-3-yl-1,2-oxazole-4-carboxamide
CID 63297742
N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide
CID 66185904
N-(azetidin-3-yl)-N-methyl-1,2-oxazole-5-carboxamide
CID 66186851
N-(azetidin-3-yl)-4-iodo-N-methylbenzamide
CID 66186385
N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
CID 66186140
N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide
CID 113396529
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007
N,3-dimethyl-N-pyrrolidin-3-yl-1,2-oxazole-5-carboxamide
CID 63297787
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 114242702
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide (CID 66187304) is N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)N(C)C2CNC2)c1C.
What is the InChIKey of N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide?
The InChIKey is ZCVRJKRZEYIGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7-8(2)16-9(3)11(7)12(15)14(4)10-5-13-6-10/h10,13H,5-6H2,1-4H3.
What are the key properties of N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide?
N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N,2,4,5-tetramethylfuran-3-carboxamide is sourced from PubChem (CID 66187304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).