[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate

C18H21NO6 — CID 2352576

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OCC
InChIInChI=1S/C18H21NO6/c1-3-22-15-8-7-13(10-16(15)23-4-2)18(21)25-12-17(20)19-11-14-6-5-9-24-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,20)
InChIKeyFNVAUFXJWDEMQS-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.55
Rot. Bonds9

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate (PubChem CID 2352576) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate
PubChem CID2352576
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OCC
InChIInChI=1S/C18H21NO6/c1-3-22-15-8-7-13(10-16(15)23-4-2)18(21)25-12-17(20)19-11-14-6-5-9-24-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,20)
InChIKeyFNVAUFXJWDEMQS-UHFFFAOYSA-N
XLogP2.55
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzamide, N-furfuryl-3,4,5-trimethoxy-
CID 43247
3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2853045
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 725650
5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519
5-[(4-Methoxy-benzoylamino)-methyl]-furan-2-carboxylic acid
CID 976896
5-[(2-methoxy-4-propylphenoxy)methyl]-N-propyl-2-furamide
CID 2166253
5-[(4-tert-butylphenoxy)methyl]-N-propyl-2-furamide
CID 2166341
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)-2-furamide
CID 2942268
5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxotetrahydrofuran-3-yl)-2-furamide
CID 6618802
7-methoxy-N-(2-morpholinoethyl)benzofuran-2-carboxamide
CID 6472686
3-(3,4-Dimethoxyphenyl)-3-[(furan-2-carbonyl)-amino]propionic acid
CID 645152
N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 703899

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate (CID 2352576) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OCC.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate?
The InChIKey is FNVAUFXJWDEMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-3-22-15-8-7-13(10-16(15)23-4-2)18(21)25-12-17(20)19-11-14-6-5-9-24-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate has a molecular weight of 347.37 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate is sourced from PubChem (CID 2352576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).