N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide

C15H23NO2 — CID 5059755

IUPACN-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCCCCCC(C)NC(=O)C=Cc1ccc(C)o1
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-12(2)16-15(17)11-10-14-9-8-13(3)18-14/h8-12H,4-7H2,1-3H3,(H,16,17)
InChIKeyKPIPIQNHBWAHNC-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.69
Rot. Bonds7

About N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide

N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 5059755) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID5059755
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCCCCCC(C)NC(=O)C=Cc1ccc(C)o1
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-12(2)16-15(17)11-10-14-9-8-13(3)18-14/h8-12H,4-7H2,1-3H3,(H,16,17)
InChIKeyKPIPIQNHBWAHNC-UHFFFAOYSA-N
XLogP3.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide
CID 6006158
(E)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 103940956
(Z)-N,N'-di(heptan-2-yl)but-2-enediamide
CID 87996571
(E)-3-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
(E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide
CID 47097582
(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6314090
3-(5-methylfuran-2-yl)-N-[4-methyl-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pentyl]prop-2-enamide
CID 72690283
(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
CID 46571095
methyl (2S)-3-hydroxy-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propanoate
CID 113355780
3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide
CID 4681801
(Z)-4-(heptan-2-ylamino)-4-oxobut-2-enoic acid
CID 139663098

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide (CID 5059755) is N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide is CCCCCC(C)NC(=O)C=Cc1ccc(C)o1.
What is the InChIKey of N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is KPIPIQNHBWAHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-6-7-12(2)16-15(17)11-10-14-9-8-13(3)18-14/h8-12H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide?
N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 249.35 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 5059755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).