N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide

C26H23NO5 — CID 26773447

IUPACN-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
SMILESCOc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccc(C)cc4)ccc3c2C)c1
InChIInChI=1S/C26H23NO5/c1-15-5-7-17(8-6-15)26(29)27-18-9-11-20-16(2)25(32-23(20)13-18)24(28)21-14-19(30-3)10-12-22(21)31-4/h5-14H,1-4H3,(H,27,29)
InChIKeyGFCPNEWKVWPPKA-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.55
Rot. Bonds6

About N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide

N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide (PubChem CID 26773447) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
PubChem CID26773447
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC NameN-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
SMILESCOc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccc(C)cc4)ccc3c2C)c1
InChIInChI=1S/C26H23NO5/c1-15-5-7-17(8-6-15)26(29)27-18-9-11-20-16(2)25(32-23(20)13-18)24(28)21-14-19(30-3)10-12-22(21)31-4/h5-14H,1-4H3,(H,27,29)
InChIKeyGFCPNEWKVWPPKA-UHFFFAOYSA-N
XLogP5.55
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
CID 26773474
2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773563
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide
CID 19959494
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
CID 2803430
5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide
CID 20931043
4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773536
N-[2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-6-yl]oxolane-2-carboxamide
CID 110275052
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide
CID 11089072

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide?
The IUPAC name of N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide (CID 26773447) is N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide is COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccc(C)cc4)ccc3c2C)c1.
What is the InChIKey of N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide?
The InChIKey is GFCPNEWKVWPPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-15-5-7-17(8-6-15)26(29)27-18-9-11-20-16(2)25(32-23(20)13-18)24(28)21-14-19(30-3)10-12-22(21)31-4/h5-14H,1-4H3,(H,27,29).
What are the key properties of N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide?
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide has a molecular weight of 429.47 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide is sourced from PubChem (CID 26773447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).