2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide

C22H23NO3 — CID 20931043

IUPAC2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide
SMILESCc1ccc(C(=O)c2oc3cc(NC(=O)C(C)(C)C)ccc3c2C)cc1
InChIInChI=1S/C22H23NO3/c1-13-6-8-15(9-7-13)19(24)20-14(2)17-11-10-16(12-18(17)26-20)23-21(25)22(3,4)5/h6-12H,1-5H3,(H,23,25)
InChIKeyCIASJKXUHCYBNX-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.27
Rot. Bonds3

About 2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide

2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide (PubChem CID 20931043) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide
PubChem CID20931043
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide
SMILESCc1ccc(C(=O)c2oc3cc(NC(=O)C(C)(C)C)ccc3c2C)cc1
InChIInChI=1S/C22H23NO3/c1-13-6-8-15(9-7-13)19(24)20-14(2)17-11-10-16(12-18(17)26-20)23-21(25)22(3,4)5/h6-12H,1-5H3,(H,23,25)
InChIKeyCIASJKXUHCYBNX-UHFFFAOYSA-N
XLogP5.27
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide
CID 19959494
3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
CID 26773474
2-[[3-methyl-2-(4-phenylbenzoyl)-1-benzofuran-6-yl]amino]-2-oxoacetic acid
CID 19417828
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide
CID 18568645
N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide
CID 16825907
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]cyclohexanecarboxamide
CID 20931096
2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 1100701
2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide
CID 26773546
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
CID 60706257

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide (CID 20931043) is 2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide is Cc1ccc(C(=O)c2oc3cc(NC(=O)C(C)(C)C)ccc3c2C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide?
The InChIKey is CIASJKXUHCYBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-13-6-8-15(9-7-13)19(24)20-14(2)17-11-10-16(12-18(17)26-20)23-21(25)22(3,4)5/h6-12H,1-5H3,(H,23,25).
What are the key properties of 2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide?
2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide is sourced from PubChem (CID 20931043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).