N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

C20H20N2O2 — CID 20831443

IUPACN-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESCN(C)C(=O)/C(=C\C=C/c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-22(2)20(24)18(15-9-12-16-10-5-3-6-11-16)21-19(23)17-13-7-4-8-14-17/h3-15H,1-2H3,(H,21,23)/b12-9-,18-15+
InChIKeyFTDKOHFWHSQAEH-LBTXPRFTSA-N
MW320.39 g/mol
LogP3.10
Rot. Bonds5

About N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (PubChem CID 20831443) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
PubChem CID20831443
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESCN(C)C(=O)/C(=C\C=C/c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-22(2)20(24)18(15-9-12-16-10-5-3-6-11-16)21-19(23)17-13-7-4-8-14-17/h3-15H,1-2H3,(H,21,23)/b12-9-,18-15+
InChIKeyFTDKOHFWHSQAEH-LBTXPRFTSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
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

N-[(E)-3-(dimethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6244466
N-[1-(2-benzylidenehydrazinyl)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2858617
N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
CID 3118289
N-[(E)-1-(4-cyanophenyl)-3-(dimethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5369515
N-[3-(dimethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 740454
3-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]benzoic acid
CID 2270660
N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2232702
N-[(2E,4E)-1-[(2-aminophenyl)methylamino]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 124657436
N-[1-oxo-5-phenyl-1-[2-(thiophen-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide
CID 2861022
N-[(2E,4Z)-1-(methylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide
CID 20833660
3-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]benzoate
CID 2270659
N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2860711

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The IUPAC name of N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (CID 20831443) is N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.
What is the SMILES notation for N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The canonical SMILES for N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is CN(C)C(=O)/C(=C\C=C/c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The InChIKey is FTDKOHFWHSQAEH-LBTXPRFTSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-22(2)20(24)18(15-9-12-16-10-5-3-6-11-16)21-19(23)17-13-7-4-8-14-17/h3-15H,1-2H3,(H,21,23)/b12-9-,18-15+.
What are the key properties of N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide has a molecular weight of 320.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is sourced from PubChem (CID 20831443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).