methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate

C14H21NO4 — CID 134037285

IUPACmethyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
SMILESCCC(C)C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C14H21NO4/c1-6-9(2)13(16)15(4)8-11-7-12(10(3)19-11)14(17)18-5/h7,9H,6,8H2,1-5H3
InChIKeyFBKUXJMJQHOGQX-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.38
Rot. Bonds5

About methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate (PubChem CID 134037285) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
PubChem CID134037285
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
SMILESCCC(C)C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C14H21NO4/c1-6-9(2)13(16)15(4)8-11-7-12(10(3)19-11)14(17)18-5/h7,9H,6,8H2,1-5H3
InChIKeyFBKUXJMJQHOGQX-UHFFFAOYSA-N
XLogP2.38
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 47990211
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-2-methylfuran-3-carboxylate
CID 111107898
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate
CID 170888841
methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78827719
5-[[2,3-dimethylbutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222286
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78790048
methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31710740
methyl 2-methyl-5-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]furan-3-carboxylate
CID 34482863
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate (CID 134037285) is methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate is CCC(C)C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1.
What is the InChIKey of methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate?
The InChIKey is FBKUXJMJQHOGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-6-9(2)13(16)15(4)8-11-7-12(10(3)19-11)14(17)18-5/h7,9H,6,8H2,1-5H3.
What are the key properties of methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 134037285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).