methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate

C14H23NO3 — CID 113253716

IUPACmethyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
SMILESCCC(C)(CC)NCc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C14H23NO3/c1-6-14(4,7-2)15-9-11-8-12(10(3)18-11)13(16)17-5/h8,15H,6-7,9H2,1-5H3
InChIKeyFKZBEYUDTFTHIH-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.04
Rot. Bonds6

About methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate

methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate (PubChem CID 113253716) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
PubChem CID113253716
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
SMILESCCC(C)(CC)NCc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C14H23NO3/c1-6-14(4,7-2)15-9-11-8-12(10(3)18-11)13(16)17-5/h8,15H,6-7,9H2,1-5H3
InChIKeyFKZBEYUDTFTHIH-UHFFFAOYSA-N
XLogP3.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 43231477
methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 115278913
2-methyl-5-[(2-methylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103230898
methyl 5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 103923336
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
methyl 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 113472111
methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222413
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate (CID 113253716) is methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate is CCC(C)(CC)NCc1cc(C(=O)OC)c(C)o1.
What is the InChIKey of methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate?
The InChIKey is FKZBEYUDTFTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-6-14(4,7-2)15-9-11-8-12(10(3)18-11)13(16)17-5/h8,15H,6-7,9H2,1-5H3.
What are the key properties of methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate?
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate is sourced from PubChem (CID 113253716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).