methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate

C20H21NO4 — CID 92757935

IUPACmethyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C[C@H](CNC(=O)c1ccc(C)cc1C)O2
InChIInChI=1S/C20H21NO4/c1-12-4-6-17(13(2)8-12)19(22)21-11-16-10-15-9-14(20(23)24-3)5-7-18(15)25-16/h4-9,16H,10-11H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyPWTPVYOKSWTBTC-MRXNPFEDSA-N
MW339.39 g/mol
LogP2.82
Rot. Bonds4

About methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate

methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate (PubChem CID 92757935) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
PubChem CID92757935
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C[C@H](CNC(=O)c1ccc(C)cc1C)O2
InChIInChI=1S/C20H21NO4/c1-12-4-6-17(13(2)8-12)19(22)21-11-16-10-15-9-14(20(23)24-3)5-7-18(15)25-16/h4-9,16H,10-11H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyPWTPVYOKSWTBTC-MRXNPFEDSA-N
XLogP2.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate 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

methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46089367
methyl 2-[(1,3-benzodioxole-5-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46085665
methyl 2-[(thiophene-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46085576
methyl 2-[[(4-methoxy-4-oxobutanoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46085670
methyl (2S)-2-[(3-methylsulfanylpropanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 92756609
methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46090259
N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 46704833
N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
CID 92756956
methyl 2-octyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 139693266
N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide
CID 46090223
2-methyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090158
4-bromo-N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylbenzamide
CID 92758303

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
The IUPAC name of methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate (CID 92757935) is methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate.
What is the SMILES notation for methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
The canonical SMILES for methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate is COC(=O)c1ccc2c(c1)C[C@H](CNC(=O)c1ccc(C)cc1C)O2.
What is the InChIKey of methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
The InChIKey is PWTPVYOKSWTBTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21NO4/c1-12-4-6-17(13(2)8-12)19(22)21-11-16-10-15-9-14(20(23)24-3)5-7-18(15)25-16/h4-9,16H,10-11H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate is sourced from PubChem (CID 92757935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).