N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

C20H21NO3 — CID 19412877

IUPACN-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C20H21NO3/c1-14(2)12-21-20(22)19-11-10-16(24-19)13-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-11,14H,12-13H2,1-2H3,(H,21,22)
InChIKeyLXIUEWCWRHONLI-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.40
Rot. Bonds6

About N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (PubChem CID 19412877) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
PubChem CID19412877
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C20H21NO3/c1-14(2)12-21-20(22)19-11-10-16(24-19)13-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-11,14H,12-13H2,1-2H3,(H,21,22)
InChIKeyLXIUEWCWRHONLI-UHFFFAOYSA-N
XLogP4.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826
5-(naphthalen-1-yloxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 35526034
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
CID 3596350
5-(naphthalen-1-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166258
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
CID 19412894
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453
N-(1-methylbenzimidazol-2-yl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412863

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (CID 19412877) is N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is CC(C)CNC(=O)c1ccc(COc2cccc3ccccc23)o1.
What is the InChIKey of N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The InChIKey is LXIUEWCWRHONLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14(2)12-21-20(22)19-11-10-16(24-19)13-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-11,14H,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19412877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).