methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate

C14H21NO4 — CID 103923807

IUPACmethyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2CCOC(C)C2)oc1C
InChIInChI=1S/C14H21NO4/c1-9-6-11(4-5-18-9)15-8-12-7-13(10(2)19-12)14(16)17-3/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyKSKYBUVXNNJSGR-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.03
Rot. Bonds4

About methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate (PubChem CID 103923807) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate
PubChem CID103923807
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2CCOC(C)C2)oc1C
InChIInChI=1S/C14H21NO4/c1-9-6-11(4-5-18-9)15-8-12-7-13(10(2)19-12)14(16)17-3/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyKSKYBUVXNNJSGR-UHFFFAOYSA-N
XLogP2.03
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate (CID 103923807) is methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC2CCOC(C)C2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is KSKYBUVXNNJSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-6-11(4-5-18-9)15-8-12-7-13(10(2)19-12)14(16)17-3/h7,9,11,15H,4-6,8H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 103923807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).