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

C19H22N2O5 — CID 31712108

IUPACmethyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CNC(=O)c2cccc(C)c2)oc1C
InChIInChI=1S/C19H22N2O5/c1-12-6-5-7-14(8-12)18(23)20-10-17(22)21(3)11-15-9-16(13(2)26-15)19(24)25-4/h5-9H,10-11H2,1-4H3,(H,20,23)
InChIKeyDJMXKDFHFMCXRG-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.07
Rot. Bonds6

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

methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate (PubChem CID 31712108) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
PubChem CID31712108
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CNC(=O)c2cccc(C)c2)oc1C
InChIInChI=1S/C19H22N2O5/c1-12-6-5-7-14(8-12)18(23)20-10-17(22)21(3)11-15-9-16(13(2)26-15)19(24)25-4/h5-9H,10-11H2,1-4H3,(H,20,23)
InChIKeyDJMXKDFHFMCXRG-UHFFFAOYSA-N
XLogP2.07
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 55789158
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 62334553
methyl 2-methyl-5-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]furan-3-carboxylate
CID 34482863
methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
CID 55612622
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34485199
methyl 5-[[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34481666
methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 47069980
methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31710740
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate (CID 31712108) is methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)CNC(=O)c2cccc(C)c2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate?
The InChIKey is DJMXKDFHFMCXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12-6-5-7-14(8-12)18(23)20-10-17(22)21(3)11-15-9-16(13(2)26-15)19(24)25-4/h5-9H,10-11H2,1-4H3,(H,20,23).
What are the key properties of methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 31712108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).