[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate

C19H24N2O4 — CID 18075738

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCCCC(C)NC(=O)COC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C19H24N2O4/c1-3-7-14(2)21-18(22)13-25-19(23)16-9-4-5-10-17(16)20-12-15-8-6-11-24-15/h4-6,8-11,14,20H,3,7,12-13H2,1-2H3,(H,21,22)
InChIKeyPRMYMFJDSPRRDS-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.35
Rot. Bonds9

About [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate

[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 18075738) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID18075738
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCCCC(C)NC(=O)COC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C19H24N2O4/c1-3-7-14(2)21-18(22)13-25-19(23)16-9-4-5-10-17(16)20-12-15-8-6-11-24-15/h4-6,8-11,14,20H,3,7,12-13H2,1-2H3,(H,21,22)
InChIKeyPRMYMFJDSPRRDS-UHFFFAOYSA-N
XLogP3.35
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate
CID 43034807
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150103
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224219
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
(4-amino-3-cyano-2-oxopent-3-enyl) 2-(furan-2-ylmethylamino)benzoate
CID 3592546
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150083
[2-oxo-2-(4-propylphenyl)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224156

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate (CID 18075738) is [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate is CCCC(C)NC(=O)COC(=O)c1ccccc1NCc1ccco1.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is PRMYMFJDSPRRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-7-14(2)21-18(22)13-25-19(23)16-9-4-5-10-17(16)20-12-15-8-6-11-24-15/h4-6,8-11,14,20H,3,7,12-13H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 344.41 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 18075738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).