N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C25H23NO5 — CID 35523266

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1OC
InChIInChI=1S/C25H23NO5/c1-28-22-11-7-17(13-24(22)29-2)15-26-25(27)23-12-10-21(31-23)16-30-20-9-8-18-5-3-4-6-19(18)14-20/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyGJHCJNZPSDEWBR-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.96
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 35523266) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID35523266
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1OC
InChIInChI=1S/C25H23NO5/c1-28-22-11-7-17(13-24(22)29-2)15-26-25(27)23-12-10-21(31-23)16-30-20-9-8-18-5-3-4-6-19(18)14-20/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyGJHCJNZPSDEWBR-UHFFFAOYSA-N
XLogP4.96
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31491727
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864
N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461074
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19296406
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 46401322
N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219844
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 51213609
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192
5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
CID 3660443
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 35523266) is N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is GJHCJNZPSDEWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-28-22-11-7-17(13-24(22)29-2)15-26-25(27)23-12-10-21(31-23)16-30-20-9-8-18-5-3-4-6-19(18)14-20/h3-14H,15-16H2,1-2H3,(H,26,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 35523266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).