(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide

C26H24N2O2 — CID 14597871

IUPAC(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccccc2)c(NC(=O)/C=C/c2ccccc2)cc1C
InChIInChI=1S/C26H24N2O2/c1-19-17-23(27-25(29)15-13-21-9-5-3-6-10-21)24(18-20(19)2)28-26(30)16-14-22-11-7-4-8-12-22/h3-18H,1-2H3,(H,27,29)(H,28,30)/b15-13+,16-14+
InChIKeyFQGUGDAGMHLCBC-WXUKJITCSA-N
MW396.49 g/mol
LogP5.61
Rot. Bonds6

About (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide

(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide (PubChem CID 14597871) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
PubChem CID14597871
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccccc2)c(NC(=O)/C=C/c2ccccc2)cc1C
InChIInChI=1S/C26H24N2O2/c1-19-17-23(27-25(29)15-13-21-9-5-3-6-10-21)24(18-20(19)2)28-26(30)16-14-22-11-7-4-8-12-22/h3-18H,1-2H3,(H,27,29)(H,28,30)/b15-13+,16-14+
InChIKeyFQGUGDAGMHLCBC-WXUKJITCSA-N
XLogP5.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide with MolForge

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Related Compounds

ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
3,4-bis[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 35209489
N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
CID 139612240
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742
(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide
CID 959463
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide (CID 14597871) is (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccccc2)c(NC(=O)/C=C/c2ccccc2)cc1C.
What is the InChIKey of (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide?
The InChIKey is FQGUGDAGMHLCBC-WXUKJITCSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-19-17-23(27-25(29)15-13-21-9-5-3-6-10-21)24(18-20(19)2)28-26(30)16-14-22-11-7-4-8-12-22/h3-18H,1-2H3,(H,27,29)(H,28,30)/b15-13+,16-14+.
What are the key properties of (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide?
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide has a molecular weight of 396.49 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 14597871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).