N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

C28H30N2O6 — CID 2945958

IUPACN-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C(=O)Nc4ccc(OC)cc4OC)cc3)CCOCC2)cc1
InChIInChI=1S/C28H30N2O6/c1-33-22-10-6-20(7-11-22)28(14-16-36-17-15-28)27(32)29-21-8-4-19(5-9-21)26(31)30-24-13-12-23(34-2)18-25(24)35-3/h4-13,18H,14-17H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyFJSYWKHVGXXEOJ-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.65
Rot. Bonds8

About N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide (PubChem CID 2945958) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
PubChem CID2945958
Molecular FormulaC28H30N2O6
Molecular Weight490.56 g/mol
Exact Mass490.21
IUPAC NameN-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C(=O)Nc4ccc(OC)cc4OC)cc3)CCOCC2)cc1
InChIInChI=1S/C28H30N2O6/c1-33-22-10-6-20(7-11-22)28(14-16-36-17-15-28)27(32)29-21-8-4-19(5-9-21)26(31)30-24-13-12-23(34-2)18-25(24)35-3/h4-13,18H,14-17H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyFJSYWKHVGXXEOJ-UHFFFAOYSA-N
XLogP4.65
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
4-(aminomethyl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120917251
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide (CID 2945958) is N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(C(=O)Nc4ccc(OC)cc4OC)cc3)CCOCC2)cc1.
What is the InChIKey of N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is FJSYWKHVGXXEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O6/c1-33-22-10-6-20(7-11-22)28(14-16-36-17-15-28)27(32)29-21-8-4-19(5-9-21)26(31)30-24-13-12-23(34-2)18-25(24)35-3/h4-13,18H,14-17H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 2945958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).