N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide

C23H28N2O4 — CID 27452518

IUPACN'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCOc1ccccc1C1(CNC(=O)C(=O)NCc2ccc(C)cc2)CCOCC1
InChIInChI=1S/C23H28N2O4/c1-17-7-9-18(10-8-17)15-24-21(26)22(27)25-16-23(11-13-29-14-12-23)19-5-3-4-6-20(19)28-2/h3-10H,11-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUTYKZYFMEAIBHI-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.48
Rot. Bonds6

About N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide

N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 27452518) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID27452518
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCOc1ccccc1C1(CNC(=O)C(=O)NCc2ccc(C)cc2)CCOCC1
InChIInChI=1S/C23H28N2O4/c1-17-7-9-18(10-8-17)15-24-21(26)22(27)25-16-23(11-13-29-14-12-23)19-5-3-4-6-20(19)28-2/h3-10H,11-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUTYKZYFMEAIBHI-UHFFFAOYSA-N
XLogP2.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 47697691
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27453065
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27449368
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27452628
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 27452763
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide
CID 51055341
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927497

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide (CID 27452518) is N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide is COc1ccccc1C1(CNC(=O)C(=O)NCc2ccc(C)cc2)CCOCC1.
What is the InChIKey of N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is UTYKZYFMEAIBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17-7-9-18(10-8-17)15-24-21(26)22(27)25-16-23(11-13-29-14-12-23)19-5-3-4-6-20(19)28-2/h3-10H,11-16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide?
N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 396.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 27452518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).