methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate

C17H26N2O6 — CID 47990211

IUPACmethyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)NC(CC(C)C)C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C17H26N2O6/c1-10(2)7-14(18-17(22)24-6)15(20)19(4)9-12-8-13(11(3)25-12)16(21)23-5/h8,10,14H,7,9H2,1-6H3,(H,18,22)
InChIKeySXLSMXDVLKNYNI-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.10
Rot. Bonds7

About methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 47990211) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID47990211
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Namemethyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)NC(CC(C)C)C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C17H26N2O6/c1-10(2)7-14(18-17(22)24-6)15(20)19(4)9-12-8-13(11(3)25-12)16(21)23-5/h8,10,14H,7,9H2,1-6H3,(H,18,22)
InChIKeySXLSMXDVLKNYNI-UHFFFAOYSA-N
XLogP2.10
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
CID 134037285
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
5-[[2,3-dimethylbutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222286
5-[[3,5-dimethylhexanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221827
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78827719
methyl 2-methyl-5-[[methyl-(1-sulfamoylcyclobutanecarbonyl)amino]methyl]furan-3-carboxylate
CID 138013323
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 5-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31712537

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 47990211) is methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)NC(CC(C)C)C(=O)N(C)Cc1cc(C(=O)OC)c(C)o1.
What is the InChIKey of methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is SXLSMXDVLKNYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-10(2)7-14(18-17(22)24-6)15(20)19(4)9-12-8-13(11(3)25-12)16(21)23-5/h8,10,14H,7,9H2,1-6H3,(H,18,22).
What are the key properties of methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 354.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 47990211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).