(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C14H20N2O3 — CID 26456915

IUPAC(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCC(=O)NC(C)(C)C)o1
InChIInChI=1S/C14H20N2O3/c1-10-5-6-11(19-10)7-8-12(17)15-9-13(18)16-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)/b8-7+
InChIKeyOWBIPWZYNYINLP-BQYQJAHWSA-N
MW264.32 g/mol
LogP1.63
Rot. Bonds4

About (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 26456915) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID26456915
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCC(=O)NC(C)(C)C)o1
InChIInChI=1S/C14H20N2O3/c1-10-5-6-11(19-10)7-8-12(17)15-9-13(18)16-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)/b8-7+
InChIKeyOWBIPWZYNYINLP-BQYQJAHWSA-N
XLogP1.63
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923455
(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)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide
CID 47117254
(E)-3-(5-methylfuran-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]prop-2-enamide
CID 51146096
benzyl 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetate
CID 26878355
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
N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 77114203
(E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 55564815
N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 873864

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 26456915) is (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCC(=O)NC(C)(C)C)o1.
What is the InChIKey of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is OWBIPWZYNYINLP-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-6-11(19-10)7-8-12(17)15-9-13(18)16-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)/b8-7+.
What are the key properties of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 264.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 26456915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).