5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide

C19H23N3O4 — CID 74500448

IUPAC5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide
SMILESCC(=O)c1cccc(OCC2CC(C(=O)N(C)Cc3ccco3)NN2)c1
InChIInChI=1S/C19H23N3O4/c1-13(23)14-5-3-6-16(9-14)26-12-15-10-18(21-20-15)19(24)22(2)11-17-7-4-8-25-17/h3-9,15,18,20-21H,10-12H2,1-2H3
InChIKeyLHCNGOVMEHNUTA-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.75
Rot. Bonds7

About 5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide

5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide (PubChem CID 74500448) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide
PubChem CID74500448
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide
SMILESCC(=O)c1cccc(OCC2CC(C(=O)N(C)Cc3ccco3)NN2)c1
InChIInChI=1S/C19H23N3O4/c1-13(23)14-5-3-6-16(9-14)26-12-15-10-18(21-20-15)19(24)22(2)11-17-7-4-8-25-17/h3-9,15,18,20-21H,10-12H2,1-2H3
InChIKeyLHCNGOVMEHNUTA-UHFFFAOYSA-N
XLogP1.75
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide
CID 74790623
N-methyl-N-(pyrimidin-4-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazolidine-3-carboxamide
CID 74415860
4-ethyl-N-(furan-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 114428076
5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one
CID 117051927
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 112817367
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate
CID 30992535
3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 126785439
N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452898

Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide (CID 74500448) is 5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide is CC(=O)c1cccc(OCC2CC(C(=O)N(C)Cc3ccco3)NN2)c1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide?
The InChIKey is LHCNGOVMEHNUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(23)14-5-3-6-16(9-14)26-12-15-10-18(21-20-15)19(24)22(2)11-17-7-4-8-25-17/h3-9,15,18,20-21H,10-12H2,1-2H3.
What are the key properties of 5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide?
5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 74500448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).