3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide

C14H21NO2 — CID 4681801

IUPAC3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)C=Cc1ccc(C)o1
InChIInChI=1S/C14H21NO2/c1-4-10-15(11-5-2)14(16)9-8-13-7-6-12(3)17-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyCXVWQFRCYYHHRD-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.25
Rot. Bonds6

About 3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide

3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide (PubChem CID 4681801) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide
PubChem CID4681801
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)C=Cc1ccc(C)o1
InChIInChI=1S/C14H21NO2/c1-4-10-15(11-5-2)14(16)9-8-13-7-6-12(3)17-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyCXVWQFRCYYHHRD-UHFFFAOYSA-N
XLogP3.25
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide (CID 4681801) is 3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide is CCCN(CCC)C(=O)C=Cc1ccc(C)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide?
The InChIKey is CXVWQFRCYYHHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-15(11-5-2)14(16)9-8-13-7-6-12(3)17-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide?
3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide has a molecular weight of 235.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide is sourced from PubChem (CID 4681801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).