[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate

C17H19NO4 — CID 2356450

IUPAC[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate
SMILESCCCCc1ccc(NC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C17H19NO4/c1-2-3-5-13-7-9-14(10-8-13)18-16(19)12-22-17(20)15-6-4-11-21-15/h4,6-11H,2-3,5,12H2,1H3,(H,18,19)
InChIKeyQXVMKZAIKDBITH-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.42
Rot. Bonds7

About [2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate

[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 2356450) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate
PubChem CID2356450
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate
SMILESCCCCc1ccc(NC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C17H19NO4/c1-2-3-5-13-7-9-14(10-8-13)18-16(19)12-22-17(20)15-6-4-11-21-15/h4,6-11H,2-3,5,12H2,1H3,(H,18,19)
InChIKeyQXVMKZAIKDBITH-UHFFFAOYSA-N
XLogP3.42
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-butoxycarbonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631611
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
[2-(4-butylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 7809575
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
[2-(4-butylanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 2390832
[2-(4-butylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284646
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2354784
[2-(4-butylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7668528
[2-(4-butylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682209
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631686
[2-(4-butylanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11924924
[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834240

Frequently Asked Questions

What is the IUPAC name of [2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate (CID 2356450) is [2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate is CCCCc1ccc(NC(=O)COC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is QXVMKZAIKDBITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-2-3-5-13-7-9-14(10-8-13)18-16(19)12-22-17(20)15-6-4-11-21-15/h4,6-11H,2-3,5,12H2,1H3,(H,18,19).
What are the key properties of [2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate?
[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2356450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).