N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide

C17H18N2O5 — CID 90580925

IUPACN'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18N2O5/c20-14(11-3-4-15-12(8-11)5-7-24-15)10-19-17(22)16(21)18-9-13-2-1-6-23-13/h1-4,6,8,14,20H,5,7,9-10H2,(H,18,21)(H,19,22)
InChIKeyHPFLVIHKEDJXNN-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.68
Rot. Bonds5

About N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide

N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide (PubChem CID 90580925) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide
PubChem CID90580925
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18N2O5/c20-14(11-3-4-15-12(8-11)5-7-24-15)10-19-17(22)16(21)18-9-13-2-1-6-23-13/h1-4,6,8,14,20H,5,7,9-10H2,(H,18,21)(H,19,22)
InChIKeyHPFLVIHKEDJXNN-UHFFFAOYSA-N
XLogP0.68
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.68
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'-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97042531
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90580935
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(furan-2-yl)ethanol
CID 83171228
N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042537
N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803499
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
1-benzhydryl-3-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]urea
CID 97105782
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 124514997
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]cyclobutanecarboxamide
CID 90580681
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43754954
methyl (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]acetate
CID 124888400

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide (CID 90580925) is N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)NCC(O)c1ccc2c(c1)CCO2.
What is the InChIKey of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is HPFLVIHKEDJXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-14(11-3-4-15-12(8-11)5-7-24-15)10-19-17(22)16(21)18-9-13-2-1-6-23-13/h1-4,6,8,14,20H,5,7,9-10H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide?
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 330.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 90580925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).