N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide

C20H24N2O3 — CID 119419519

IUPACN-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1N
InChIInChI=1S/C20H24N2O3/c1-14-3-5-15(6-4-14)20(9-11-25-12-10-20)19(23)22-16-7-8-18(24-2)17(21)13-16/h3-8,13H,9-12,21H2,1-2H3,(H,22,23)
InChIKeyUQSVEWUJDBEZLF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.27
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide

N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide (PubChem CID 119419519) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
PubChem CID119419519
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1N
InChIInChI=1S/C20H24N2O3/c1-14-3-5-15(6-4-14)20(9-11-25-12-10-20)19(23)22-16-7-8-18(24-2)17(21)13-16/h3-8,13H,9-12,21H2,1-2H3,(H,22,23)
InChIKeyUQSVEWUJDBEZLF-UHFFFAOYSA-N
XLogP3.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119420007
ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 100747803
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 100784364
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide (CID 119419519) is N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide is COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide?
The InChIKey is UQSVEWUJDBEZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-3-5-15(6-4-14)20(9-11-25-12-10-20)19(23)22-16-7-8-18(24-2)17(21)13-16/h3-8,13H,9-12,21H2,1-2H3,(H,22,23).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide?
N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 119419519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).