(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide

C22H24N2O2 — CID 2180886

IUPAC(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O2/c1-17-3-7-19(8-4-17)11-13-21(25)23-15-16-24-22(26)14-12-20-9-5-18(2)6-10-20/h3-14H,15-16H2,1-2H3,(H,23,25)(H,24,26)/b13-11+,14-12+
InChIKeyZLAANLRDRPOOIQ-PHEQNACWSA-N
MW348.45 g/mol
LogP3.26
Rot. Bonds7

About (E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide

(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide (PubChem CID 2180886) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
PubChem CID2180886
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O2/c1-17-3-7-19(8-4-17)11-13-21(25)23-15-16-24-22(26)14-12-20-9-5-18(2)6-10-20/h3-14H,15-16H2,1-2H3,(H,23,25)(H,24,26)/b13-11+,14-12+
InChIKeyZLAANLRDRPOOIQ-PHEQNACWSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 90244607
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 55593221
N-(3-hydroxy-4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 111460772
(E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 82354263
tert-butyl N-[2-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethylamino]-2-oxoethyl]carbamate
CID 108916281
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
3-(4-methylphenyl)-N-[2-[4-[3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 2932518

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide (CID 2180886) is (E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The InChIKey is ZLAANLRDRPOOIQ-PHEQNACWSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-3-7-19(8-4-17)11-13-21(25)23-15-16-24-22(26)14-12-20-9-5-18(2)6-10-20/h3-14H,15-16H2,1-2H3,(H,23,25)(H,24,26)/b13-11+,14-12+.
What are the key properties of (E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide has a molecular weight of 348.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 2180886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).