[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate

C23H23NO4 — CID 7224156

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCCCc1ccc(C(=O)COC(=O)c2ccccc2NCc2ccco2)cc1
InChIInChI=1S/C23H23NO4/c1-2-6-17-10-12-18(13-11-17)22(25)16-28-23(26)20-8-3-4-9-21(20)24-15-19-7-5-14-27-19/h3-5,7-14,24H,2,6,15-16H2,1H3
InChIKeyHKVQIBCXLLJBKB-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.88
Rot. Bonds9

About [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate

[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 7224156) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID7224156
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCCCc1ccc(C(=O)COC(=O)c2ccccc2NCc2ccco2)cc1
InChIInChI=1S/C23H23NO4/c1-2-6-17-10-12-18(13-11-17)22(25)16-28-23(26)20-8-3-4-9-21(20)24-15-19-7-5-14-27-19/h3-5,7-14,24H,2,6,15-16H2,1H3
InChIKeyHKVQIBCXLLJBKB-UHFFFAOYSA-N
XLogP4.88
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate with MolForge

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Related Compounds

[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate
CID 902764
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150083
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224215
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150103
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2624130
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate (CID 7224156) is [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate is CCCc1ccc(C(=O)COC(=O)c2ccccc2NCc2ccco2)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is HKVQIBCXLLJBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-2-6-17-10-12-18(13-11-17)22(25)16-28-23(26)20-8-3-4-9-21(20)24-15-19-7-5-14-27-19/h3-5,7-14,24H,2,6,15-16H2,1H3.
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 377.44 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 7224156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).