N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide

C21H25NO3 — CID 75537653

IUPACN-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(c2ccc(C)cc2)CCOCC1
InChIInChI=1S/C21H25NO3/c1-15-4-7-17(8-5-15)21(10-12-25-13-11-21)20(23)22-18-14-16(2)6-9-19(18)24-3/h4-9,14H,10-13H2,1-3H3,(H,22,23)
InChIKeyUBSYEJGDOCURQE-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.00
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide

N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide (PubChem CID 75537653) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
PubChem CID75537653
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(c2ccc(C)cc2)CCOCC1
InChIInChI=1S/C21H25NO3/c1-15-4-7-17(8-5-15)21(10-12-25-13-11-21)20(23)22-18-14-16(2)6-9-19(18)24-3/h4-9,14H,10-13H2,1-3H3,(H,22,23)
InChIKeyUBSYEJGDOCURQE-UHFFFAOYSA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide 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-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
CID 100608034
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198467
4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide
CID 110438579
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 100784364
1-carbamothioyl-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 80591589
ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 100747803
1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea
CID 972139
N-(5-acetamido-2-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 26243035

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide (CID 75537653) is N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide is COc1ccc(C)cc1NC(=O)C1(c2ccc(C)cc2)CCOCC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide?
The InChIKey is UBSYEJGDOCURQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15-4-7-17(8-5-15)21(10-12-25-13-11-21)20(23)22-18-14-16(2)6-9-19(18)24-3/h4-9,14H,10-13H2,1-3H3,(H,22,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 75537653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).