N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide

C16H22N2O5 — CID 90534226

IUPACN'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC2(O)CCOCC2)cc1
InChIInChI=1S/C16H22N2O5/c1-22-13-4-2-12(3-5-13)10-17-14(19)15(20)18-11-16(21)6-8-23-9-7-16/h2-5,21H,6-11H2,1H3,(H,17,19)(H,18,20)
InChIKeySLGUHKOSULNQMF-UHFFFAOYSA-N
MW322.36 g/mol
LogP-0.03
Rot. Bonds5

About N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide

N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 90534226) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID90534226
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC NameN'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC2(O)CCOCC2)cc1
InChIInChI=1S/C16H22N2O5/c1-22-13-4-2-12(3-5-13)10-17-14(19)15(20)18-11-16(21)6-8-23-9-7-16/h2-5,21H,6-11H2,1H3,(H,17,19)(H,18,20)
InChIKeySLGUHKOSULNQMF-UHFFFAOYSA-N
XLogP-0.03
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]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

1-[(4-bromophenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 111106655
1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276518
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
1-ethyl-3-[(4-hydroxyoxan-4-yl)methyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111184113
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
CID 89181014
N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27452518
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30127277
4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 47720644

Frequently Asked Questions

What is the IUPAC name of N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide (CID 90534226) is N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NCC2(O)CCOCC2)cc1.
What is the InChIKey of N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is SLGUHKOSULNQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-22-13-4-2-12(3-5-13)10-17-14(19)15(20)18-11-16(21)6-8-23-9-7-16/h2-5,21H,6-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide?
N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 322.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 90534226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).