N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide

C21H25N3O4 — CID 141225851

IUPACN-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC2CCCCC2)cc1
InChIInChI=1S/C21H25N3O4/c1-23(2)16-10-8-15(9-11-16)21(25)22-19-13-12-17(24(26)27)14-20(19)28-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,22,25)
InChIKeyMCNKXJAWMNWKEJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.62
Rot. Bonds6

About N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide

N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide (PubChem CID 141225851) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide
PubChem CID141225851
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC2CCCCC2)cc1
InChIInChI=1S/C21H25N3O4/c1-23(2)16-10-8-15(9-11-16)21(25)22-19-13-12-17(24(26)27)14-20(19)28-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,22,25)
InChIKeyMCNKXJAWMNWKEJ-UHFFFAOYSA-N
XLogP4.62
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
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

N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 141225866
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide
CID 14771324
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide;N-(2-cyclohexyloxy-4-nitrophenyl)-N-methylmethanesulfonamide
CID 158974603
[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 8534237
2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline
CID 170769157
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide
CID 44665405
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
N-(2-methoxy-4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60651141

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide (CID 141225851) is N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide?
The InChIKey is MCNKXJAWMNWKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-23(2)16-10-8-15(9-11-16)21(25)22-19-13-12-17(24(26)27)14-20(19)28-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,22,25).
What are the key properties of N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide?
N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 141225851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).