(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide

C12H17NO2 — CID 923455

IUPAC(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC(C)(C)C)o1
InChIInChI=1S/C12H17NO2/c1-9-5-6-10(15-9)7-8-11(14)13-12(2,3)4/h5-8H,1-4H3,(H,13,14)/b8-7+
InChIKeyRZFOYJYEZBTLDY-BQYQJAHWSA-N
MW207.27 g/mol
LogP2.52
Rot. Bonds2

About (E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 923455) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID923455
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC(C)(C)C)o1
InChIInChI=1S/C12H17NO2/c1-9-5-6-10(15-9)7-8-11(14)13-12(2,3)4/h5-8H,1-4H3,(H,13,14)/b8-7+
InChIKeyRZFOYJYEZBTLDY-BQYQJAHWSA-N
XLogP2.52
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26456915
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
(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)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 103940956
4,4-dimethyl-2-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 107474203
(E)-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 96567156
(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 897086
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
methyl 5-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 17398738
(E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 55564815

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide (CID 923455) is (E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC(C)(C)C)o1.
What is the InChIKey of (E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is RZFOYJYEZBTLDY-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-6-10(15-9)7-8-11(14)13-12(2,3)4/h5-8H,1-4H3,(H,13,14)/b8-7+.
What are the key properties of (E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 207.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 923455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).