N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C27H26N2O4 — CID 46466062

IUPACN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C27H26N2O4/c1-17(2)26(30)28-21-10-8-18(3)24(15-21)29-27(31)25-13-12-23(33-25)16-32-22-11-9-19-6-4-5-7-20(19)14-22/h4-15,17H,16H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyNWDWSIMBXZONBW-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.17
Rot. Bonds7

About N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 46466062) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID46466062
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C27H26N2O4/c1-17(2)26(30)28-21-10-8-18(3)24(15-21)29-27(31)25-13-12-23(33-25)16-32-22-11-9-19-6-4-5-7-20(19)14-22/h4-15,17H,16H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyNWDWSIMBXZONBW-UHFFFAOYSA-N
XLogP6.17
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
5-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19460989
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19346343
2-methyl-N-[4-methyl-3-(naphthalen-2-ylmethylamino)phenyl]propanamide
CID 112839413
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31483302
N-[4-(difluoromethylsulfonyl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31523225
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875
5-(naphthalen-2-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 717197
N-[3-(cyanomethoxy)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55800345
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
N-(1,5-dimethylpyrazol-3-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39886151

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 46466062) is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is NWDWSIMBXZONBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-17(2)26(30)28-21-10-8-18(3)24(15-21)29-27(31)25-13-12-23(33-25)16-32-22-11-9-19-6-4-5-7-20(19)14-22/h4-15,17H,16H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 46466062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).