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

C23H28N2O4 — CID 47697691

IUPACN'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide
SMILESCOc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(C)cc2C)CCOCC1
InChIInChI=1S/C23H28N2O4/c1-16-8-9-19(17(2)14-16)25-22(27)21(26)24-15-23(10-12-29-13-11-23)18-6-4-5-7-20(18)28-3/h4-9,14H,10-13,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyHNMBXGNPHSTMLL-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.12
Rot. Bonds5

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

N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide (PubChem CID 47697691) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide
PubChem CID47697691
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide
SMILESCOc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(C)cc2C)CCOCC1
InChIInChI=1S/C23H28N2O4/c1-16-8-9-19(17(2)14-16)25-22(27)21(26)24-15-23(10-12-29-13-11-23)18-6-4-5-7-20(18)28-3/h4-9,14H,10-13,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyHNMBXGNPHSTMLL-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.12
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'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27452518
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 27452763
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27452628
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 7647050
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
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]-2,5-dimethylbenzenesulfonamide
CID 27450983
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405
3-bromo-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449390

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide (CID 47697691) is N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide is COc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(C)cc2C)CCOCC1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide?
The InChIKey is HNMBXGNPHSTMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-8-9-19(17(2)14-16)25-22(27)21(26)24-15-23(10-12-29-13-11-23)18-6-4-5-7-20(18)28-3/h4-9,14H,10-13,15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide?
N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide has a molecular weight of 396.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide is sourced from PubChem (CID 47697691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).