N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide

C19H22N2O5 — CID 134161806

IUPACN'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC1(O)CCCc2occc21
InChIInChI=1S/C19H22N2O5/c1-25-15-6-3-2-5-13(15)11-20-17(22)18(23)21-12-19(24)9-4-7-16-14(19)8-10-26-16/h2-3,5-6,8,10,24H,4,7,9,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyJHQBGOFQWPMJDG-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.24
Rot. Bonds5

About N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide

N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 134161806) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide
PubChem CID134161806
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCC1(O)CCCc2occc21
InChIInChI=1S/C19H22N2O5/c1-25-15-6-3-2-5-13(15)11-20-17(22)18(23)21-12-19(24)9-4-7-16-14(19)8-10-26-16/h2-3,5-6,8,10,24H,4,7,9,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyJHQBGOFQWPMJDG-UHFFFAOYSA-N
XLogP1.24
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]cyclopentanecarboxamide
CID 134160415
4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 116809816
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 124605769
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 134160606
1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108913694
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870

Frequently Asked Questions

What is the IUPAC name of N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide (CID 134161806) is N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCC1(O)CCCc2occc21.
What is the InChIKey of N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is JHQBGOFQWPMJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-25-15-6-3-2-5-13(15)11-20-17(22)18(23)21-12-19(24)9-4-7-16-14(19)8-10-26-16/h2-3,5-6,8,10,24H,4,7,9,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide?
N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 358.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 134161806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).