3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide

C21H21NO5 — CID 1150730

IUPAC3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3ccc(C)o3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H21NO5/c1-13-5-10-17(27-13)14-6-8-16(9-7-14)22-21(23)15-11-18(24-2)20(26-4)19(12-15)25-3/h5-12H,1-4H3,(H,22,23)
InChIKeyVNHSOFGLCCNFOP-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.53
Rot. Bonds6

About 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide

3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide (PubChem CID 1150730) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide
PubChem CID1150730
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3ccc(C)o3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H21NO5/c1-13-5-10-17(27-13)14-6-8-16(9-7-14)22-21(23)15-11-18(24-2)20(26-4)19(12-15)25-3/h5-12H,1-4H3,(H,22,23)
InChIKeyVNHSOFGLCCNFOP-UHFFFAOYSA-N
XLogP4.53
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-methylfuran-2-yl)-N-(4-methylphenyl)benzamide
CID 7463717
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4069940
5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 23967867
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate
CID 1193343
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
CID 26773474
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide
CID 11100457

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide (CID 1150730) is 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(-c3ccc(C)o3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide?
The InChIKey is VNHSOFGLCCNFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-13-5-10-17(27-13)14-6-8-16(9-7-14)22-21(23)15-11-18(24-2)20(26-4)19(12-15)25-3/h5-12H,1-4H3,(H,22,23).
What are the key properties of 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide has a molecular weight of 367.40 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide is sourced from PubChem (CID 1150730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).