N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide

C15H17NO5 — CID 1089288

IUPACN-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C15H17NO5/c1-18-12-8-14(20-3)13(19-2)7-11(12)15(17)16-9-10-5-4-6-21-10/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyDQNYTQAXYSPMAX-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.24
Rot. Bonds6

About N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide

N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide (PubChem CID 1089288) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
PubChem CID1089288
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C15H17NO5/c1-18-12-8-14(20-3)13(19-2)7-11(12)15(17)16-9-10-5-4-6-21-10/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyDQNYTQAXYSPMAX-UHFFFAOYSA-N
XLogP2.24
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 110761322
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide
CID 110762882
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 9314148
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide (CID 1089288) is N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)NCc2ccco2)cc1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide?
The InChIKey is DQNYTQAXYSPMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-18-12-8-14(20-3)13(19-2)7-11(12)15(17)16-9-10-5-4-6-21-10/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide?
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide has a molecular weight of 291.30 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 1089288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).