N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide

C21H22N2O5 — CID 121021294

IUPACN-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCC(OC)c1cc2ccccc2o1
InChIInChI=1S/C21H22N2O5/c1-13-8-9-17(26-2)15(10-13)23-21(25)20(24)22-12-19(27-3)18-11-14-6-4-5-7-16(14)28-18/h4-11,19H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUBPSHORSRLDRFK-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide

N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 121021294) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
PubChem CID121021294
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCC(OC)c1cc2ccccc2o1
InChIInChI=1S/C21H22N2O5/c1-13-8-9-17(26-2)15(10-13)23-21(25)20(24)22-12-19(27-3)18-11-14-6-4-5-7-16(14)28-18/h4-11,19H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUBPSHORSRLDRFK-UHFFFAOYSA-N
XLogP3.19
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 129357962
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 124892212
N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 119104126
N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide
CID 121145738
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 16875570
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 124891805
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108513847
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90623953
N-(2-cyclohexyl-2-hydroxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 56764347
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 91630922

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide (CID 121021294) is N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCC(OC)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is UBPSHORSRLDRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-13-8-9-17(26-2)15(10-13)23-21(25)20(24)22-12-19(27-3)18-11-14-6-4-5-7-16(14)28-18/h4-11,19H,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 382.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 121021294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).