(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide

C21H20N2O2 — CID 60536532

IUPAC(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C21H20N2O2/c1-23(16-17-6-3-2-4-7-17)19-11-9-18(10-12-19)22-21(24)14-13-20-8-5-15-25-20/h2-15H,16H2,1H3,(H,22,24)/b14-13+
InChIKeyUXALQJSKQUXCSX-BUHFOSPRSA-N
MW332.40 g/mol
LogP4.57
Rot. Bonds6

About (E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 60536532) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID60536532
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C21H20N2O2/c1-23(16-17-6-3-2-4-7-17)19-11-9-18(10-12-19)22-21(24)14-13-20-8-5-15-25-20/h2-15H,16H2,1H3,(H,22,24)/b14-13+
InChIKeyUXALQJSKQUXCSX-BUHFOSPRSA-N
XLogP4.57
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 37243408
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
CID 695806
1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60543399
tert-butyl N-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 94161008
3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 71961453
4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methoxybenzoic acid
CID 107208592
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide (CID 60536532) is (E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide is CN(Cc1ccccc1)c1ccc(NC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is UXALQJSKQUXCSX-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-23(16-17-6-3-2-4-7-17)19-11-9-18(10-12-19)22-21(24)14-13-20-8-5-15-25-20/h2-15H,16H2,1H3,(H,22,24)/b14-13+.
What are the key properties of (E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 332.40 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 60536532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).