N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide

C22H22N2O4 — CID 126852760

IUPACN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCC(O)c1ccc(-c2ccco2)cc1)c1ccccc1
InChIInChI=1S/C22H22N2O4/c1-15(16-6-3-2-4-7-16)24-22(27)21(26)23-14-19(25)17-9-11-18(12-10-17)20-8-5-13-28-20/h2-13,15,19,25H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyQHWXFNGLTDYWPM-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.97
Rot. Bonds6

About N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide

N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide (PubChem CID 126852760) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide
PubChem CID126852760
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCC(O)c1ccc(-c2ccco2)cc1)c1ccccc1
InChIInChI=1S/C22H22N2O4/c1-15(16-6-3-2-4-7-16)24-22(27)21(26)23-14-19(25)17-9-11-18(12-10-17)20-8-5-13-28-20/h2-13,15,19,25H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyQHWXFNGLTDYWPM-UHFFFAOYSA-N
XLogP2.97
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide 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-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 99876519
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 126850888
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 126854868
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
1-[4-(furan-2-yl)phenyl]-N-methylethanamine
CID 63949148
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 99873315
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 97106356

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide (CID 126852760) is N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NCC(O)c1ccc(-c2ccco2)cc1)c1ccccc1.
What is the InChIKey of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide?
The InChIKey is QHWXFNGLTDYWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15(16-6-3-2-4-7-16)24-22(27)21(26)23-14-19(25)17-9-11-18(12-10-17)20-8-5-13-28-20/h2-13,15,19,25H,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide?
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide has a molecular weight of 378.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 126852760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).