methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate

C15H17NO4 — CID 43779846

IUPACmethyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate
SMILESCOCc1ccccc1NCc1ccc(C(=O)OC)o1
InChIInChI=1S/C15H17NO4/c1-18-10-11-5-3-4-6-13(11)16-9-12-7-8-14(20-12)15(17)19-2/h3-8,16H,9-10H2,1-2H3
InChIKeyALRGMEMWTDCYMP-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.82
Rot. Bonds6

About methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate

methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate (PubChem CID 43779846) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate
PubChem CID43779846
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate
SMILESCOCc1ccccc1NCc1ccc(C(=O)OC)o1
InChIInChI=1S/C15H17NO4/c1-18-10-11-5-3-4-6-13(11)16-9-12-7-8-14(20-12)15(17)19-2/h3-8,16H,9-10H2,1-2H3
InChIKeyALRGMEMWTDCYMP-UHFFFAOYSA-N
XLogP2.82
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(2-propan-2-ylanilino)methyl]furan-2-carboxylate
CID 43229669
methyl 5-[(2-ethylsulfanylanilino)methyl]furan-2-carboxylate
CID 60936456
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
methyl 5-[(2,6-dibromoanilino)methyl]furan-2-carboxylate
CID 107597258
[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate
CID 115628469
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
methyl 5-[(4-cyano-2-methoxyanilino)methyl]furan-2-carboxylate
CID 104848329
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-[(4-nitroanilino)methyl]furan-2-carboxylate
CID 43222339
(2-methoxyphenyl)methyl 5-(methoxymethyl)furan-2-carboxylate
CID 78824904

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate (CID 43779846) is methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate is COCc1ccccc1NCc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate?
The InChIKey is ALRGMEMWTDCYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-10-11-5-3-4-6-13(11)16-9-12-7-8-14(20-12)15(17)19-2/h3-8,16H,9-10H2,1-2H3.
What are the key properties of methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate?
methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43779846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).