[1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate

C15H17NO5 — CID 122161310

IUPAC[1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)NCc1ccc(-c2ccco2)o1
InChIInChI=1S/C15H17NO5/c1-10(17)21-15(2,3)14(18)16-9-11-6-7-13(20-11)12-5-4-8-19-12/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyMFMQPCNCJBJICW-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.50
Rot. Bonds5

About [1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate

[1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate (PubChem CID 122161310) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is [1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
PubChem CID122161310
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name[1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)NCc1ccc(-c2ccco2)o1
InChIInChI=1S/C15H17NO5/c1-10(17)21-15(2,3)14(18)16-9-11-6-7-13(20-11)12-5-4-8-19-12/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyMFMQPCNCJBJICW-UHFFFAOYSA-N
XLogP2.50
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea
CID 122244089
2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide
CID 119101854
2-cyclopropyl-N-[[5-(furan-2-yl)furan-2-yl]methyl]acetamide
CID 122160322
N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 119101900
N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 121019189
methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate
CID 119101887
tert-butyl N-[[5-(2-methylphenyl)furan-2-yl]methyl]carbamate
CID 145262667
2-(ethylamino)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62831893
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-[(2S)-2-[5-(furan-2-yl)furan-2-yl]-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 164631469
N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
CID 17100622
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate (CID 122161310) is [1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate is CC(=O)OC(C)(C)C(=O)NCc1ccc(-c2ccco2)o1.
What is the InChIKey of [1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate?
The InChIKey is MFMQPCNCJBJICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-10(17)21-15(2,3)14(18)16-9-11-6-7-13(20-11)12-5-4-8-19-12/h4-8H,9H2,1-3H3,(H,16,18).
What are the key properties of [1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate?
[1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate has a molecular weight of 291.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 122161310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).