ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate

C14H23NO3 — CID 83038809

IUPACethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
SMILESCCCC(NC(C)c1ccc(C)o1)C(=O)OCC
InChIInChI=1S/C14H23NO3/c1-5-7-12(14(16)17-6-2)15-11(4)13-9-8-10(3)18-13/h8-9,11-12,15H,5-7H2,1-4H3
InChIKeyAKKNHCKHGINSBY-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.97
Rot. Bonds7

About ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate

ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate (PubChem CID 83038809) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
PubChem CID83038809
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
SMILESCCCC(NC(C)c1ccc(C)o1)C(=O)OCC
InChIInChI=1S/C14H23NO3/c1-5-7-12(14(16)17-6-2)15-11(4)13-9-8-10(3)18-13/h8-9,11-12,15H,5-7H2,1-4H3
InChIKeyAKKNHCKHGINSBY-UHFFFAOYSA-N
XLogP2.97
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 43689060
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
2-[1-(5-methylfuran-2-yl)ethylamino]-N-pentan-2-ylacetamide
CID 60697975
N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide
CID 77031505
1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 115769765
2-[1-(5-methylfuran-2-yl)ethylamino]oxyacetamide
CID 112672888
ethyl 2-amino-5-(5-methylfuran-2-yl)hexanoate
CID 170884770
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
N,N,4-trimethyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanamide
CID 43675082
ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
CID 83042042
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43684931
(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 103871755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate?
The IUPAC name of ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate (CID 83038809) is ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate.
What is the SMILES notation for ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate?
The canonical SMILES for ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate is CCCC(NC(C)c1ccc(C)o1)C(=O)OCC.
What is the InChIKey of ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate?
The InChIKey is AKKNHCKHGINSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-7-12(14(16)17-6-2)15-11(4)13-9-8-10(3)18-13/h8-9,11-12,15H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate?
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate has a molecular weight of 253.34 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate is sourced from PubChem (CID 83038809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).