N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C21H17NO4 — CID 19461074

IUPACN-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C21H17NO4/c23-21(22-13-18-6-3-11-24-18)20-10-9-19(26-20)14-25-17-8-7-15-4-1-2-5-16(15)12-17/h1-12H,13-14H2,(H,22,23)
InChIKeyJECKULRYCRDGCW-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.53
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 19461074) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID19461074
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC NameN-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C21H17NO4/c23-21(22-13-18-6-3-11-24-18)20-10-9-19(26-20)14-25-17-8-7-15-4-1-2-5-16(15)12-17/h1-12H,13-14H2,(H,22,23)
InChIKeyJECKULRYCRDGCW-UHFFFAOYSA-N
XLogP4.53
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 19461074) is N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is O=C(NCc1ccco1)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is JECKULRYCRDGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c23-21(22-13-18-6-3-11-24-18)20-10-9-19(26-20)14-25-17-8-7-15-4-1-2-5-16(15)12-17/h1-12H,13-14H2,(H,22,23).
What are the key properties of N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19461074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).