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

C24H32N4O4 — CID 4317913

IUPACN-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide
SMILESCOc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C24H32N4O4/c1-28(2)21-13-10-17(14-19(21)23(29)25-16-8-6-5-7-9-16)26-24(30)27-20-12-11-18(31-3)15-22(20)32-4/h10-16H,5-9H2,1-4H3,(H,25,29)(H2,26,27,30)
InChIKeyWMQWDHMFBKRHFY-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.48
Rot. Bonds7

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

N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide (PubChem CID 4317913) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide
PubChem CID4317913
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide
SMILESCOc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CCCCC3)c2)c(OC)c1
InChIInChI=1S/C24H32N4O4/c1-28(2)21-13-10-17(14-19(21)23(29)25-16-8-6-5-7-9-16)26-24(30)27-20-12-11-18(31-3)15-22(20)32-4/h10-16H,5-9H2,1-4H3,(H,25,29)(H2,26,27,30)
InChIKeyWMQWDHMFBKRHFY-UHFFFAOYSA-N
XLogP4.48
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
CID 5214201
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,4-dimethoxyphenyl)carbamoylamino]benzamide
CID 42753033
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 5024938
5-acetamido-N-cycloheptyl-2-methoxybenzamide
CID 110764502
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
CID 42747229
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide
CID 42747228
1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide?
The IUPAC name of N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide (CID 4317913) is N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide?
The canonical SMILES for N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide is COc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CCCCC3)c2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide?
The InChIKey is WMQWDHMFBKRHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-28(2)21-13-10-17(14-19(21)23(29)25-16-8-6-5-7-9-16)26-24(30)27-20-12-11-18(31-3)15-22(20)32-4/h10-16H,5-9H2,1-4H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide?
N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide has a molecular weight of 440.54 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide is sourced from PubChem (CID 4317913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).