N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide

C19H27N3O2 — CID 135141538

IUPACN-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
SMILESCN(C)C/C=C/C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-22(2)14-6-9-18(23)20-17-12-10-15(11-13-17)19(24)21-16-7-4-3-5-8-16/h6,9-13,16H,3-5,7-8,14H2,1-2H3,(H,20,23)(H,21,24)/b9-6+
InChIKeyUDSZRDPEWAJVHE-RMKNXTFCSA-N
MW329.44 g/mol
LogP2.81
Rot. Bonds6

About N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide

N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide (PubChem CID 135141538) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
PubChem CID135141538
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
SMILESCN(C)C/C=C/C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-22(2)14-6-9-18(23)20-17-12-10-15(11-13-17)19(24)21-16-7-4-3-5-8-16/h6,9-13,16H,3-5,7-8,14H2,1-2H3,(H,20,23)(H,21,24)/b9-6+
InChIKeyUDSZRDPEWAJVHE-RMKNXTFCSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-[4-(dimethylamino)but-2-enoylamino]benzoyl chloride
CID 123561810
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
4-(dimethylamino)-N-phenylbut-2-enamide
CID 72514761
N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813756
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
N-[(1S,3R)-3-[[5-chloro-4-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]cyclopentyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 122514683

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide (CID 135141538) is N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide is CN(C)C/C=C/C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide?
The InChIKey is UDSZRDPEWAJVHE-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-22(2)14-6-9-18(23)20-17-12-10-15(11-13-17)19(24)21-16-7-4-3-5-8-16/h6,9-13,16H,3-5,7-8,14H2,1-2H3,(H,20,23)(H,21,24)/b9-6+.
What are the key properties of N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide?
N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide is sourced from PubChem (CID 135141538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).