methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate

C13H19NO4 — CID 43404643

IUPACmethyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(C)o1
InChIInChI=1S/C13H19NO4/c1-10-7-8-11(18-10)13(16)14-9-5-3-4-6-12(15)17-2/h7-8H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyZARFSJGXRAAWAC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.05
Rot. Bonds7

About methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate

methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate (PubChem CID 43404643) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
PubChem CID43404643
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(C)o1
InChIInChI=1S/C13H19NO4/c1-10-7-8-11(18-10)13(16)14-9-5-3-4-6-12(15)17-2/h7-8H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyZARFSJGXRAAWAC-UHFFFAOYSA-N
XLogP2.05
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
methyl 6-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]hexanoate
CID 43404526
N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide
CID 77036852
methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate
CID 134014900
methyl 4-[[5-(1-chloroethyl)furan-2-carbonyl]amino]butanoate
CID 82110491
methyl 7-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]heptanoate
CID 86993788
methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate
CID 43408697
methyl 6-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]hexanoate
CID 134014872
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
CID 43404553
methyl 7-[[2-(4-aminophenyl)acetyl]amino]heptanoate;hydrochloride
CID 119701299

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate (CID 43404643) is methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc(C)o1.
What is the InChIKey of methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate?
The InChIKey is ZARFSJGXRAAWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10-7-8-11(18-10)13(16)14-9-5-3-4-6-12(15)17-2/h7-8H,3-6,9H2,1-2H3,(H,14,16).
What are the key properties of methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate?
methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate has a molecular weight of 253.30 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate is sourced from PubChem (CID 43404643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).