N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide

C25H32Cl2N4O — CID 91742461

IUPACN-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide
SMILESCCN(CCCC(=O)NC1CCCCC1)c1ccc(/N=N/c2cc(Cl)cc(Cl)c2)c(C)c1
InChIInChI=1S/C25H32Cl2N4O/c1-3-31(13-7-10-25(32)28-21-8-5-4-6-9-21)23-11-12-24(18(2)14-23)30-29-22-16-19(26)15-20(27)17-22/h11-12,14-17,21H,3-10,13H2,1-2H3,(H,28,32)/b30-29+
InChIKeyPXHYCSKUQIZHOA-QVIHXGFCSA-N
MW475.46 g/mol
LogP7.77
Rot. Bonds9

About N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide

N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide (PubChem CID 91742461) has the molecular formula C25H32Cl2N4O and a molecular weight of 475.46 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide
PubChem CID91742461
Molecular FormulaC25H32Cl2N4O
Molecular Weight475.46 g/mol
Exact Mass474.20
IUPAC NameN-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide
SMILESCCN(CCCC(=O)NC1CCCCC1)c1ccc(/N=N/c2cc(Cl)cc(Cl)c2)c(C)c1
InChIInChI=1S/C25H32Cl2N4O/c1-3-31(13-7-10-25(32)28-21-8-5-4-6-9-21)23-11-12-24(18(2)14-23)30-29-22-16-19(26)15-20(27)17-22/h11-12,14-17,21H,3-10,13H2,1-2H3,(H,28,32)/b30-29+
InChIKeyPXHYCSKUQIZHOA-QVIHXGFCSA-N
XLogP7.77
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
4-(3-chloro-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 9173514
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide
CID 113157058
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
2-(3-amino-N-ethylanilino)-N-cyclopentylacetamide
CID 55175748
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide?
The IUPAC name of N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide (CID 91742461) is N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide.
What is the SMILES notation for N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide?
The canonical SMILES for N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide is CCN(CCCC(=O)NC1CCCCC1)c1ccc(/N=N/c2cc(Cl)cc(Cl)c2)c(C)c1.
What is the InChIKey of N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide?
The InChIKey is PXHYCSKUQIZHOA-QVIHXGFCSA-N. The full InChI is InChI=1S/C25H32Cl2N4O/c1-3-31(13-7-10-25(32)28-21-8-5-4-6-9-21)23-11-12-24(18(2)14-23)30-29-22-16-19(26)15-20(27)17-22/h11-12,14-17,21H,3-10,13H2,1-2H3,(H,28,32)/b30-29+.
What are the key properties of N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide?
N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide has a molecular weight of 475.46 g/mol, XLogP of 7.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-[(3,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]butanamide is sourced from PubChem (CID 91742461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).