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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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).