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

C24H26N2O2 — CID 2232702

IUPACN-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESO=C(NC1CCCCC1)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C24H26N2O2/c27-23(20-14-6-2-7-15-20)26-22(18-10-13-19-11-4-1-5-12-19)24(28)25-21-16-8-3-9-17-21/h1-2,4-7,10-15,18,21H,3,8-9,16-17H2,(H,25,28)(H,26,27)/b13-10-,22-18-
InChIKeyCOSDAFIAVGHDCX-VFQLDLCJSA-N
MW374.48 g/mol
LogP4.46
Rot. Bonds6

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

N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (PubChem CID 2232702) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
PubChem CID2232702
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESO=C(NC1CCCCC1)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C24H26N2O2/c27-23(20-14-6-2-7-15-20)26-22(18-10-13-19-11-4-1-5-12-19)24(28)25-21-16-8-3-9-17-21/h1-2,4-7,10-15,18,21H,3,8-9,16-17H2,(H,25,28)(H,26,27)/b13-10-,22-18-
InChIKeyCOSDAFIAVGHDCX-VFQLDLCJSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.46
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-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide
CID 2302595
N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine
CID 174416456
N-[(Z)-3-(cyclohexylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6519450
N-[1-(2-benzylidenehydrazinyl)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2858617
N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 20831443
N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 5060325
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 6260559
3-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]benzoic acid
CID 2270660
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,4E)-1-[(2-aminophenyl)methylamino]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 124657436

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The IUPAC name of N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (CID 2232702) is N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.
What is the SMILES notation for N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The canonical SMILES for N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is O=C(NC1CCCCC1)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The InChIKey is COSDAFIAVGHDCX-VFQLDLCJSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-23(20-14-6-2-7-15-20)26-22(18-10-13-19-11-4-1-5-12-19)24(28)25-21-16-8-3-9-17-21/h1-2,4-7,10-15,18,21H,3,8-9,16-17H2,(H,25,28)(H,26,27)/b13-10-,22-18-.
What are the key properties of N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide has a molecular weight of 374.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is sourced from PubChem (CID 2232702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).