propyl 2-[furan-2-carbonyl(methyl)amino]acetate

C11H15NO4 — CID 91700657

IUPACpropyl 2-[furan-2-carbonyl(methyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C11H15NO4/c1-3-6-16-10(13)8-12(2)11(14)9-5-4-7-15-9/h4-5,7H,3,6,8H2,1-2H3
InChIKeyGLBLCXLMMMOHAP-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.30
Rot. Bonds5

About propyl 2-[furan-2-carbonyl(methyl)amino]acetate

propyl 2-[furan-2-carbonyl(methyl)amino]acetate (PubChem CID 91700657) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is propyl 2-[furan-2-carbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namepropyl 2-[furan-2-carbonyl(methyl)amino]acetate
PubChem CID91700657
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namepropyl 2-[furan-2-carbonyl(methyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C11H15NO4/c1-3-6-16-10(13)8-12(2)11(14)9-5-4-7-15-9/h4-5,7H,3,6,8H2,1-2H3
InChIKeyGLBLCXLMMMOHAP-UHFFFAOYSA-N
XLogP1.30
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 78991307
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
CID 76928863
propyl 2-[(2,6-difluorobenzoyl)-methylamino]acetate
CID 91717480
propyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711904
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55060862
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282

Frequently Asked Questions

What is the IUPAC name of propyl 2-[furan-2-carbonyl(methyl)amino]acetate?
The IUPAC name of propyl 2-[furan-2-carbonyl(methyl)amino]acetate (CID 91700657) is propyl 2-[furan-2-carbonyl(methyl)amino]acetate.
What is the SMILES notation for propyl 2-[furan-2-carbonyl(methyl)amino]acetate?
The canonical SMILES for propyl 2-[furan-2-carbonyl(methyl)amino]acetate is CCCOC(=O)CN(C)C(=O)c1ccco1.
What is the InChIKey of propyl 2-[furan-2-carbonyl(methyl)amino]acetate?
The InChIKey is GLBLCXLMMMOHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-6-16-10(13)8-12(2)11(14)9-5-4-7-15-9/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of propyl 2-[furan-2-carbonyl(methyl)amino]acetate?
propyl 2-[furan-2-carbonyl(methyl)amino]acetate has a molecular weight of 225.24 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[furan-2-carbonyl(methyl)amino]acetate is sourced from PubChem (CID 91700657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).