3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide

C18H23NO5 — CID 2053898

IUPAC3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCc2ccco2)cc(OCC)c1OCC
InChIInChI=1S/C18H23NO5/c1-4-21-15-10-13(11-16(22-5-2)17(15)23-6-3)18(20)19-12-14-8-7-9-24-14/h7-11H,4-6,12H2,1-3H3,(H,19,20)
InChIKeyCYMPSYYXRCAOPA-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.41
Rot. Bonds9

About 3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide

3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide (PubChem CID 2053898) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide
PubChem CID2053898
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCc2ccco2)cc(OCC)c1OCC
InChIInChI=1S/C18H23NO5/c1-4-21-15-10-13(11-16(22-5-2)17(15)23-6-3)18(20)19-12-14-8-7-9-24-14/h7-11H,4-6,12H2,1-3H3,(H,19,20)
InChIKeyCYMPSYYXRCAOPA-UHFFFAOYSA-N
XLogP3.41
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Trimethobenzamide
CID 5577
Itopride
CID 3792
Trimetozine
CID 12478
Trimethobenzamide Hydrochloride
CID 68385
Itopride Hydrochloride
CID 129791
Opiranserin
CID 71566778
Benzamide, N-furfuryl-3,4,5-trimethoxy-
CID 43247
4-(benzyloxy)-N-((1-(dimethylamino)cyclopentyl)methyl)-3,5-dimethoxybenzamide
CID 5311287
Benzamide, N-(2-(1-pyrrolidinyl)ethyl)-3,4,5-trimethoxy-, monohydrochloride
CID 2947321
3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2853045
Furan-2-ylmethyl-(2,4,5-trimethoxy-benzyl)-amine
CID 1090543
5-[(2-methoxy-4-propylphenoxy)methyl]-N-propyl-2-furamide
CID 2166253

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide (CID 2053898) is 3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide is CCOc1cc(C(=O)NCc2ccco2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide?
The InChIKey is CYMPSYYXRCAOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-4-21-15-10-13(11-16(22-5-2)17(15)23-6-3)18(20)19-12-14-8-7-9-24-14/h7-11H,4-6,12H2,1-3H3,(H,19,20).
What are the key properties of 3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide?
3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide has a molecular weight of 333.38 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 2053898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).