N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide

C25H28N2O2 — CID 2302595

IUPACN-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H28N2O2/c1-19-15-17-21(18-16-19)24(28)27-23(14-8-11-20-9-4-2-5-10-20)25(29)26-22-12-6-3-7-13-22/h2,4-5,8-11,14-18,22H,3,6-7,12-13H2,1H3,(H,26,29)(H,27,28)/b11-8+,23-14+
InChIKeyGREVXJWOURTWRD-OBRGUKLBSA-N
MW388.51 g/mol
LogP4.77
Rot. Bonds6

About N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide

N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide (PubChem CID 2302595) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide
PubChem CID2302595
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H28N2O2/c1-19-15-17-21(18-16-19)24(28)27-23(14-8-11-20-9-4-2-5-10-20)25(29)26-22-12-6-3-7-13-22/h2,4-5,8-11,14-18,22H,3,6-7,12-13H2,1H3,(H,26,29)(H,27,28)/b11-8+,23-14+
InChIKeyGREVXJWOURTWRD-OBRGUKLBSA-N
XLogP4.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.77
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

N-[(2E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide
CID 7033189
N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2232702
N-[3-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1100500
N-[3-(cyclohexylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1375811
N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine
CID 174416456
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-[(Z)-3-(cyclopentylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 45035895
2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
CID 3677645
N-[(2E,4Z)-1-(methylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide
CID 20833660
4-butoxy-N-[(2E,4E)-1-(methylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2255059

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide (CID 2302595) is N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide?
The InChIKey is GREVXJWOURTWRD-OBRGUKLBSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-19-15-17-21(18-16-19)24(28)27-23(14-8-11-20-9-4-2-5-10-20)25(29)26-22-12-6-3-7-13-22/h2,4-5,8-11,14-18,22H,3,6-7,12-13H2,1H3,(H,26,29)(H,27,28)/b11-8+,23-14+.
What are the key properties of N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide?
N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide has a molecular weight of 388.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide is sourced from PubChem (CID 2302595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).