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

C22H26N2O5 — CID 7647050

IUPACN'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
SMILESCOc1ccc(C2(CNC(=O)C(=O)Nc3ccccc3OC)CCOCC2)cc1
InChIInChI=1S/C22H26N2O5/c1-27-17-9-7-16(8-10-17)22(11-13-29-14-12-22)15-23-20(25)21(26)24-18-5-3-4-6-19(18)28-2/h3-10H,11-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOXIZPZZANIGKNO-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.51
Rot. Bonds6

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

N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide (PubChem CID 7647050) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
PubChem CID7647050
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
SMILESCOc1ccc(C2(CNC(=O)C(=O)Nc3ccccc3OC)CCOCC2)cc1
InChIInChI=1S/C22H26N2O5/c1-27-17-9-7-16(8-10-17)22(11-13-29-14-12-22)15-23-20(25)21(26)24-18-5-3-4-6-19(18)28-2/h3-10H,11-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOXIZPZZANIGKNO-UHFFFAOYSA-N
XLogP2.51
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 27452218
N'-(4-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 23606974
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 27453070
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 27452245
N'-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604824
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 47697691
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
1-[(2-methoxyphenyl)methyl]-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111217680

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide?
The IUPAC name of N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide (CID 7647050) is N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide?
The canonical SMILES for N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide is COc1ccc(C2(CNC(=O)C(=O)Nc3ccccc3OC)CCOCC2)cc1.
What is the InChIKey of N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide?
The InChIKey is OXIZPZZANIGKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-27-17-9-7-16(8-10-17)22(11-13-29-14-12-22)15-23-20(25)21(26)24-18-5-3-4-6-19(18)28-2/h3-10H,11-15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide?
N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide has a molecular weight of 398.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide is sourced from PubChem (CID 7647050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).