(E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide

C19H21BrN2O3 — CID 31974354

IUPAC(E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1ccc(Br)o1
InChIInChI=1S/C19H21BrN2O3/c1-3-12-22(19(24)11-9-15-8-10-17(20)25-15)13-18(23)21-16-7-5-4-6-14(16)2/h4-11H,3,12-13H2,1-2H3,(H,21,23)/b11-9+
InChIKeyMAYBGLXMOMZRSD-PKNBQFBNSA-N
MW405.29 g/mol
LogP4.24
Rot. Bonds7

About (E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide (PubChem CID 31974354) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide
PubChem CID31974354
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1ccc(Br)o1
InChIInChI=1S/C19H21BrN2O3/c1-3-12-22(19(24)11-9-15-8-10-17(20)25-15)13-18(23)21-16-7-5-4-6-14(16)2/h4-11H,3,12-13H2,1-2H3,(H,21,23)/b11-9+
InChIKeyMAYBGLXMOMZRSD-PKNBQFBNSA-N
XLogP4.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
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-[2-(2-methylanilino)-2-oxoethyl]-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 31974336
3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide
CID 76872023
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-propylamino]acetic acid
CID 54898473
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 76856671
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
(E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
CID 26356579
3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide
CID 4681801
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
ethyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-ethylamino]acetate
CID 54900830
4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide
CID 112771725
(E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide
CID 26730638

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide (CID 31974354) is (E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1ccc(Br)o1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The InChIKey is MAYBGLXMOMZRSD-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-12-22(19(24)11-9-15-8-10-17(20)25-15)13-18(23)21-16-7-5-4-6-14(16)2/h4-11H,3,12-13H2,1-2H3,(H,21,23)/b11-9+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide has a molecular weight of 405.29 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide is sourced from PubChem (CID 31974354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).