N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide

C23H28N4O4 — CID 55917998

IUPACN-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C23H28N4O4/c1-15-12-17(23(29)25-18-6-4-3-5-7-18)8-10-20(15)24-14-22(28)26-21-11-9-19(27(30)31)13-16(21)2/h8-13,18,24H,3-7,14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyJLSLFPPVTDFKNW-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.32
Rot. Bonds7

About N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide

N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide (PubChem CID 55917998) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
PubChem CID55917998
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C23H28N4O4/c1-15-12-17(23(29)25-18-6-4-3-5-7-18)8-10-20(15)24-14-22(28)26-21-11-9-19(27(30)31)13-16(21)2/h8-13,18,24H,3-7,14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyJLSLFPPVTDFKNW-UHFFFAOYSA-N
XLogP4.32
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
4-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]amino]-N-cyclohexyl-3-methylbenzamide
CID 60539219
N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 60561835
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
N-cyclododecyl-4-nitrobenzamide
CID 19168070
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
CID 51121340

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide (CID 55917998) is N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is JLSLFPPVTDFKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-15-12-17(23(29)25-18-6-4-3-5-7-18)8-10-20(15)24-14-22(28)26-21-11-9-19(27(30)31)13-16(21)2/h8-13,18,24H,3-7,14H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide?
N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 424.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 55917998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).