N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide

C26H28N2O5 — CID 71622125

IUPACN-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccc(C)o4)cc3)CCOCC2)cc1
InChIInChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUKLWMTAVXDIMIA-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.33
Rot. Bonds7

About N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide

N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide (PubChem CID 71622125) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide
PubChem CID71622125
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC NameN-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccc(C)o4)cc3)CCOCC2)cc1
InChIInChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUKLWMTAVXDIMIA-UHFFFAOYSA-N
XLogP4.33
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide (CID 71622125) is N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide is COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccc(C)o4)cc3)CCOCC2)cc1.
What is the InChIKey of N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is UKLWMTAVXDIMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-18-3-12-23(33-18)25(30)28-21-8-4-19(5-9-21)24(29)27-17-26(13-15-32-16-14-26)20-6-10-22(31-2)11-7-20/h3-12H,13-17H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide?
N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 71622125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).