N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide

C21H22N2O3 — CID 134039170

IUPACN,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide
SMILESCc1ccc2c(CC(=O)NCc3ccc(C(=O)N(C)C)cc3)coc2c1
InChIInChI=1S/C21H22N2O3/c1-14-4-9-18-17(13-26-19(18)10-14)11-20(24)22-12-15-5-7-16(8-6-15)21(25)23(2)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyNECBFJLVDILULM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.30
Rot. Bonds5

About N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide

N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide (PubChem CID 134039170) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide
PubChem CID134039170
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide
SMILESCc1ccc2c(CC(=O)NCc3ccc(C(=O)N(C)C)cc3)coc2c1
InChIInChI=1S/C21H22N2O3/c1-14-4-9-18-17(13-26-19(18)10-14)11-20(24)22-12-15-5-7-16(8-6-15)21(25)23(2)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyNECBFJLVDILULM-UHFFFAOYSA-N
XLogP3.30
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]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

N-(2-bromoprop-2-enyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 47439324
4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 38107740
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2107129
4-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872308
2-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]acetamide
CID 31856404
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 31449553
N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 66107127
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 30314469
methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 2418998
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 26905155
(6-methyl-1-benzofuran-3-yl)methanol
CID 11084186

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide (CID 134039170) is N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide is Cc1ccc2c(CC(=O)NCc3ccc(C(=O)N(C)C)cc3)coc2c1.
What is the InChIKey of N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide?
The InChIKey is NECBFJLVDILULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-4-9-18-17(13-26-19(18)10-14)11-20(24)22-12-15-5-7-16(8-6-15)21(25)23(2)3/h4-10,13H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide?
N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 134039170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).