methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate

C17H19NO3 — CID 103830750

IUPACmethyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC2Cc3ccccc3C2)oc1C
InChIInChI=1S/C17H19NO3/c1-11-16(17(19)20-2)9-15(21-11)10-18-14-7-12-5-3-4-6-13(12)8-14/h3-6,9,14,18H,7-8,10H2,1-2H3
InChIKeyLMMWGASEMUUERJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.63
Rot. Bonds4

About methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate

methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate (PubChem CID 103830750) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
PubChem CID103830750
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC2Cc3ccccc3C2)oc1C
InChIInChI=1S/C17H19NO3/c1-11-16(17(19)20-2)9-15(21-11)10-18-14-7-12-5-3-4-6-13(12)8-14/h3-6,9,14,18H,7-8,10H2,1-2H3
InChIKeyLMMWGASEMUUERJ-UHFFFAOYSA-N
XLogP2.63
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
CID 54950173
methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate
CID 103923807
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 43222452
methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate
CID 103656733
methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
CID 54932235
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 103923326
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate
CID 75497517

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate (CID 103830750) is methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNC2Cc3ccccc3C2)oc1C.
What is the InChIKey of methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate?
The InChIKey is LMMWGASEMUUERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-16(17(19)20-2)9-15(21-11)10-18-14-7-12-5-3-4-6-13(12)8-14/h3-6,9,14,18H,7-8,10H2,1-2H3.
What are the key properties of methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 103830750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).