N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide

C20H19NO4 — CID 121020532

IUPACN-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(-c3ccoc3)cc2)c1OC
InChIInChI=1S/C20H19NO4/c1-23-18-5-3-4-17(19(18)24-2)20(22)21-12-14-6-8-15(9-7-14)16-10-11-25-13-16/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyIIIKHQUPHULBDB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.89
Rot. Bonds6

About N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide

N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide (PubChem CID 121020532) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide
PubChem CID121020532
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(-c3ccoc3)cc2)c1OC
InChIInChI=1S/C20H19NO4/c1-23-18-5-3-4-17(19(18)24-2)20(22)21-12-14-6-8-15(9-7-14)16-10-11-25-13-16/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyIIIKHQUPHULBDB-UHFFFAOYSA-N
XLogP3.89
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103308
methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate
CID 47057996
2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103328
methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
CID 119103319
N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 121020539
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
4-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247051
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489934
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide (CID 121020532) is N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCc2ccc(-c3ccoc3)cc2)c1OC.
What is the InChIKey of N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide?
The InChIKey is IIIKHQUPHULBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-18-5-3-4-17(19(18)24-2)20(22)21-12-14-6-8-15(9-7-14)16-10-11-25-13-16/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide?
N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 121020532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).