methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate

C18H17NO3 — CID 60572966

IUPACmethyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(C)c2cccc3ccccc23)o1
InChIInChI=1S/C18H17NO3/c1-19(12-14-10-11-17(22-14)18(20)21-2)16-9-5-7-13-6-3-4-8-15(13)16/h3-11H,12H2,1-2H3
InChIKeyNOZCOLVNYXUPDP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.86
Rot. Bonds4

About methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate

methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate (PubChem CID 60572966) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate
PubChem CID60572966
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(C)c2cccc3ccccc23)o1
InChIInChI=1S/C18H17NO3/c1-19(12-14-10-11-17(22-14)18(20)21-2)16-9-5-7-13-6-3-4-8-15(13)16/h3-11H,12H2,1-2H3
InChIKeyNOZCOLVNYXUPDP-UHFFFAOYSA-N
XLogP3.86
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate
CID 2671799
methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012653
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
methyl 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]furan-2-carboxylate
CID 39903202
methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012233
N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
CID 115212453
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327
methyl 5-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]furan-2-carboxylate
CID 55431674

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate (CID 60572966) is methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN(C)c2cccc3ccccc23)o1.
What is the InChIKey of methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is NOZCOLVNYXUPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19(12-14-10-11-17(22-14)18(20)21-2)16-9-5-7-13-6-3-4-8-15(13)16/h3-11H,12H2,1-2H3.
What are the key properties of methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate?
methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 60572966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).