N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide

C26H24N2O2 — CID 73389334

IUPACN-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide
SMILESCC(/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1)=C\c1ccc(C)cc1
InChIInChI=1S/C26H24N2O2/c1-19-8-11-21(12-9-19)18-20(2)10-17-25(29)27-23-13-15-24(16-14-23)28-26(30)22-6-4-3-5-7-22/h3-18H,1-2H3,(H,27,29)(H,28,30)/b17-10+,20-18+
InChIKeyRPAFWXDKADOVGU-AHJLUWKOSA-N
MW396.49 g/mol
LogP5.85
Rot. Bonds6

About N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide

N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide (PubChem CID 73389334) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide
PubChem CID73389334
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide
SMILESCC(/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1)=C\c1ccc(C)cc1
InChIInChI=1S/C26H24N2O2/c1-19-8-11-21(12-9-19)18-20(2)10-17-25(29)27-23-13-15-24(16-14-23)28-26(30)22-6-4-3-5-7-22/h3-18H,1-2H3,(H,27,29)(H,28,30)/b17-10+,20-18+
InChIKeyRPAFWXDKADOVGU-AHJLUWKOSA-N
XLogP5.85
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 ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-benzamido-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] acetate
CID 2860798
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
(Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 126381851
N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 9164572
(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 51661966
(2E,4E)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 1236722
(4-benzamidophenyl)carbamic acid
CID 18543096
N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 26158897
N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide
CID 3477957
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide?
The IUPAC name of N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide (CID 73389334) is N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide?
The canonical SMILES for N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide is CC(/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1)=C\c1ccc(C)cc1.
What is the InChIKey of N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide?
The InChIKey is RPAFWXDKADOVGU-AHJLUWKOSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-19-8-11-21(12-9-19)18-20(2)10-17-25(29)27-23-13-15-24(16-14-23)28-26(30)22-6-4-3-5-7-22/h3-18H,1-2H3,(H,27,29)(H,28,30)/b17-10+,20-18+.
What are the key properties of N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide?
N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2E,4E)-4-methyl-5-(4-methylphenyl)penta-2,4-dienoyl]amino]phenyl]benzamide is sourced from PubChem (CID 73389334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).