N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C28H22N2O5 — CID 46401322

IUPACN-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1)c1ccco1
InChIInChI=1S/C28H22N2O5/c31-27(29-17-19-5-3-8-22(15-19)30-28(32)25-9-4-14-33-25)26-13-12-24(35-26)18-34-23-11-10-20-6-1-2-7-21(20)16-23/h1-16H,17-18H2,(H,29,31)(H,30,32)
InChIKeyFPZMBVNVORJZHU-UHFFFAOYSA-N
MW466.49 g/mol
LogP5.79
Rot. Bonds8

About N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 46401322) has the molecular formula C28H22N2O5 and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID46401322
Molecular FormulaC28H22N2O5
Molecular Weight466.49 g/mol
Exact Mass466.15
IUPAC NameN-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1)c1ccco1
InChIInChI=1S/C28H22N2O5/c31-27(29-17-19-5-3-8-22(15-19)30-28(32)25-9-4-14-33-25)26-13-12-24(35-26)18-34-23-11-10-20-6-1-2-7-21(20)16-23/h1-16H,17-18H2,(H,29,31)(H,30,32)
InChIKeyFPZMBVNVORJZHU-UHFFFAOYSA-N
XLogP5.79
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461074
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864
N-[3-(cyanomethoxy)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55800345
N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 78871658
N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 35523266
5-(naphthalen-2-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 717197
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]furan-2-carboxamide
CID 1491636
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
5-(naphthalen-2-yloxymethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
CID 166185177
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55826233
N-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31491727
N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 46401322) is N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is O=C(Nc1cccc(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1)c1ccco1.
What is the InChIKey of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is FPZMBVNVORJZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O5/c31-27(29-17-19-5-3-8-22(15-19)30-28(32)25-9-4-14-33-25)26-13-12-24(35-26)18-34-23-11-10-20-6-1-2-7-21(20)16-23/h1-16H,17-18H2,(H,29,31)(H,30,32).
What are the key properties of N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 46401322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).