[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

C18H22N2O4 — CID 7149879

IUPAC[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCCCCNC(=O)COC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C18H22N2O4/c1-2-3-10-19-17(21)13-24-18(22)15-8-4-5-9-16(15)20-12-14-7-6-11-23-14/h4-9,11,20H,2-3,10,12-13H2,1H3,(H,19,21)
InChIKeyGHTFNFWTUSKNIS-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.96
Rot. Bonds9

About [2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 7149879) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID7149879
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCCCCNC(=O)COC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C18H22N2O4/c1-2-3-10-19-17(21)13-24-18(22)15-8-4-5-9-16(15)20-12-14-7-6-11-23-14/h4-9,11,20H,2-3,10,12-13H2,1H3,(H,19,21)
InChIKeyGHTFNFWTUSKNIS-UHFFFAOYSA-N
XLogP2.96
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224156
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150083
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7256849
[2-(butylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740464
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224219
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224212

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (CID 7149879) is [2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is CCCCNC(=O)COC(=O)c1ccccc1NCc1ccco1.
What is the InChIKey of [2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is GHTFNFWTUSKNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-3-10-19-17(21)13-24-18(22)15-8-4-5-9-16(15)20-12-14-7-6-11-23-14/h4-9,11,20H,2-3,10,12-13H2,1H3,(H,19,21).
What are the key properties of [2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 330.38 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 7149879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).