[2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate

C18H21NO4 — CID 2429881

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccco1
InChIInChI=1S/C18H21NO4/c1-18(2,3)19(12-14-8-5-4-6-9-14)16(20)13-23-17(21)15-10-7-11-22-15/h4-11H,12-13H2,1-3H3
InChIKeyKZTSQWJKKNPQQC-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.26
Rot. Bonds5

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 2429881) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate
PubChem CID2429881
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccco1
InChIInChI=1S/C18H21NO4/c1-18(2,3)19(12-14-8-5-4-6-9-14)16(20)13-23-17(21)15-10-7-11-22-15/h4-11H,12-13H2,1-3H3
InChIKeyKZTSQWJKKNPQQC-UHFFFAOYSA-N
XLogP3.26
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3H-Pyrrole-4-carboxylic acid, 3-(2-furanylmethylidene]-1,2-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-, methyl ester
CID 1977109
N-benzylfuran-2-carboxamide
CID 347531
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 2430380
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2559682
2-(Tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl furan-2-carboxylate
CID 3154015
Furan-2-carboxylic acid cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl ester
CID 3220312
Furan-2-carboxylic acid tert-butylcarbamoyl-(2-fluoro-phenyl)-methyl ester
CID 3220314
Morpholin-4-yl-(5-m-tolyloxymethyl-furan-2-yl)-methanone
CID 6459121
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767823
N-(furan-2-ylmethyl)-N-(4-methylbenzyl)furan-2-carboxamide
CID 16436339
Bis(2-benzamidoethyl) furan-2,5-dicarboxylate
CID 2927045
Furan-2-yl[4-(4-methylbenzyl)piperazin-1-yl]methanone
CID 780086

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate (CID 2429881) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate is CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccco1.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is KZTSQWJKKNPQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-18(2,3)19(12-14-8-5-4-6-9-14)16(20)13-23-17(21)15-10-7-11-22-15/h4-11H,12-13H2,1-3H3.
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2429881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).