(2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide

C12H16N2O2 — CID 166685516

IUPAC(2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide
SMILESC=C/C=C(\C)C(=O)Nc1ccoc1N(C)C
InChIInChI=1S/C12H16N2O2/c1-5-6-9(2)11(15)13-10-7-8-16-12(10)14(3)4/h5-8H,1H2,2-4H3,(H,13,15)/b9-6+
InChIKeyKVUYJIICTSGUGI-RMKNXTFCSA-N
MW220.27 g/mol
LogP2.42
Rot. Bonds4

About (2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide

(2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide (PubChem CID 166685516) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide
PubChem CID166685516
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide
SMILESC=C/C=C(\C)C(=O)Nc1ccoc1N(C)C
InChIInChI=1S/C12H16N2O2/c1-5-6-9(2)11(15)13-10-7-8-16-12(10)14(3)4/h5-8H,1H2,2-4H3,(H,13,15)/b9-6+
InChIKeyKVUYJIICTSGUGI-RMKNXTFCSA-N
XLogP2.42
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-furo[2,3-b]pyrazin-2-one
CID 70550200
2-N-methylfuran-2,3-diamine
CID 20200448
4-(Furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one
CID 20589877
4-[(E)-2-(dimethylamino)ethenyl]-1-(furan-3-yl)pyridin-2-one
CID 42625745
4-aminomethyl-1-furan-3-yl-1H-pyridin-2-one
CID 42625751
N-Butyl-N-(furan-3-YL)-2-methylpropanamide
CID 54544400
N-(furan-3-yl)-2-methylprop-2-enamide
CID 59502709
4-(Furan-2-yl)-3-methyl-6-(methylamino)-1,4-oxazepan-5-one
CID 60074653
2-acetamido-N-[1-[furan-2-yl(2-methylpropyl)amino]-1-oxopropan-2-yl]propanamide
CID 67176170
1,2,3,4-Tetrahydrofuro[2,3-b]pyrazine
CID 67258053
N-(furan-3-yl)butanamide
CID 69717134
4-(2-dimethylamino-vinyl)-1-furan-3-yl-1H-pyridin-2-one
CID 74828433

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide (CID 166685516) is (2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide is C=C/C=C(\C)C(=O)Nc1ccoc1N(C)C.
What is the InChIKey of (2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide?
The InChIKey is KVUYJIICTSGUGI-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-5-6-9(2)11(15)13-10-7-8-16-12(10)14(3)4/h5-8H,1H2,2-4H3,(H,13,15)/b9-6+.
What are the key properties of (2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide?
(2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide has a molecular weight of 220.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-(dimethylamino)furan-3-yl]-2-methylpenta-2,4-dienamide is sourced from PubChem (CID 166685516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).