methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate

C16H19NO3 — CID 103827308

IUPACmethyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
SMILESCCc1ccc(CNCc2ccoc2C(=O)OC)cc1
InChIInChI=1S/C16H19NO3/c1-3-12-4-6-13(7-5-12)10-17-11-14-8-9-20-15(14)16(18)19-2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyGAAGVLNMMSOCOR-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.92
Rot. Bonds6

About methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate

methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate (PubChem CID 103827308) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
PubChem CID103827308
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
SMILESCCc1ccc(CNCc2ccoc2C(=O)OC)cc1
InChIInChI=1S/C16H19NO3/c1-3-12-4-6-13(7-5-12)10-17-11-14-8-9-20-15(14)16(18)19-2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyGAAGVLNMMSOCOR-UHFFFAOYSA-N
XLogP2.92
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate
CID 82732224
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084
methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate
CID 104928237
methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate
CID 43425046
4-[(2-methoxycarbonylfuran-3-yl)methylamino]butanoic acid
CID 60782689
methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
CID 43425518
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate
CID 114699136
methyl 3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]furan-2-carboxylate
CID 103923443

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate (CID 103827308) is methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate is CCc1ccc(CNCc2ccoc2C(=O)OC)cc1.
What is the InChIKey of methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate?
The InChIKey is GAAGVLNMMSOCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-12-4-6-13(7-5-12)10-17-11-14-8-9-20-15(14)16(18)19-2/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate?
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 103827308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).