N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide

C24H32N4O2 — CID 5214201

IUPACN-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CCCCC3)c2)cc1C
InChIInChI=1S/C24H32N4O2/c1-16-10-11-19(14-17(16)2)26-24(30)27-20-12-13-22(28(3)4)21(15-20)23(29)25-18-8-6-5-7-9-18/h10-15,18H,5-9H2,1-4H3,(H,25,29)(H2,26,27,30)
InChIKeyPWAQKWJHBDBWNB-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.08
Rot. Bonds5

About N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide

N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide (PubChem CID 5214201) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
PubChem CID5214201
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CCCCC3)c2)cc1C
InChIInChI=1S/C24H32N4O2/c1-16-10-11-19(14-17(16)2)26-24(30)27-20-12-13-22(28(3)4)21(15-20)23(29)25-18-8-6-5-7-9-18/h10-15,18H,5-9H2,1-4H3,(H,25,29)(H2,26,27,30)
InChIKeyPWAQKWJHBDBWNB-UHFFFAOYSA-N
XLogP5.08
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]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

N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 4317913
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 5024938
1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
CID 116656999
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
CID 42747229
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide
CID 42747228
N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 4015085
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 1064549
N-cyclohexyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42659981
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide?
The IUPAC name of N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide (CID 5214201) is N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide is Cc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CCCCC3)c2)cc1C.
What is the InChIKey of N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide?
The InChIKey is PWAQKWJHBDBWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16-10-11-19(14-17(16)2)26-24(30)27-20-12-13-22(28(3)4)21(15-20)23(29)25-18-8-6-5-7-9-18/h10-15,18H,5-9H2,1-4H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide?
N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide has a molecular weight of 408.55 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 5214201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).