methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate

C13H18N2O4 — CID 47018647

IUPACmethyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)CC(=O)NC1CC1
InChIInChI=1S/C13H18N2O4/c1-15(8-12(16)14-9-3-4-9)7-11-10(5-6-19-11)13(17)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyFIOFABSNSBBOFC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.78
Rot. Bonds6

About methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate

methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate (PubChem CID 47018647) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
PubChem CID47018647
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)CC(=O)NC1CC1
InChIInChI=1S/C13H18N2O4/c1-15(8-12(16)14-9-3-4-9)7-11-10(5-6-19-11)13(17)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyFIOFABSNSBBOFC-UHFFFAOYSA-N
XLogP0.78
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

N-[(furan-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 845080
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2362895
2-{[(3-Methyl-furan-2-carbonyl)-amino]-methyl}-furan-3-carboxylic acid
CID 587741
5-{[(5-Methyl-furan-3-carbonyl)-amino]-methyl}-furan-3-carboxylic acid
CID 573327
2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide
CID 2971248
tert-butyl N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 2999283
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 53244850
N-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 40160603
Methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
CID 51075351
Methyl 2-[[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
CID 51087062
N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 71977245
2-methyl-N-[2-(morpholin-4-yl)ethyl]furan-3-carboxamide
CID 831628

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate (CID 47018647) is methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(C)CC(=O)NC1CC1.
What is the InChIKey of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The InChIKey is FIOFABSNSBBOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(8-12(16)14-9-3-4-9)7-11-10(5-6-19-11)13(17)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 47018647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).