N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide

C24H30N4O — CID 165128942

IUPACN-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide
SMILESN/C(=C\C=C(/N)Nc1cccc(C(=O)NC2CCCCCC2)c1)c1ccccc1
InChIInChI=1S/C24H30N4O/c25-22(18-9-4-3-5-10-18)15-16-23(26)27-21-14-8-11-19(17-21)24(29)28-20-12-6-1-2-7-13-20/h3-5,8-11,14-17,20,27H,1-2,6-7,12-13,25-26H2,(H,28,29)/b22-15-,23-16+
InChIKeyZYYSEQYTFKJYDE-XRBXDRSNSA-N
MW390.53 g/mol
LogP4.35
Rot. Bonds6

About N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide

N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide (PubChem CID 165128942) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide
PubChem CID165128942
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide
SMILESN/C(=C\C=C(/N)Nc1cccc(C(=O)NC2CCCCCC2)c1)c1ccccc1
InChIInChI=1S/C24H30N4O/c25-22(18-9-4-3-5-10-18)15-16-23(26)27-21-14-8-11-19(17-21)24(29)28-20-12-6-1-2-7-13-20/h3-5,8-11,14-17,20,27H,1-2,6-7,12-13,25-26H2,(H,28,29)/b22-15-,23-16+
InChIKeyZYYSEQYTFKJYDE-XRBXDRSNSA-N
XLogP4.35
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]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

(E)-4-[3-(cyclohexylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17170491
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide
CID 68778177
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide?
The IUPAC name of N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide (CID 165128942) is N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide.
What is the SMILES notation for N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide?
The canonical SMILES for N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide is N/C(=C\C=C(/N)Nc1cccc(C(=O)NC2CCCCCC2)c1)c1ccccc1.
What is the InChIKey of N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide?
The InChIKey is ZYYSEQYTFKJYDE-XRBXDRSNSA-N. The full InChI is InChI=1S/C24H30N4O/c25-22(18-9-4-3-5-10-18)15-16-23(26)27-21-14-8-11-19(17-21)24(29)28-20-12-6-1-2-7-13-20/h3-5,8-11,14-17,20,27H,1-2,6-7,12-13,25-26H2,(H,28,29)/b22-15-,23-16+.
What are the key properties of N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide?
N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide has a molecular weight of 390.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide is sourced from PubChem (CID 165128942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).