2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide

C22H25N3O6 — CID 2961701

IUPAC2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H25N3O6/c1-30-16-11-12-18(19(13-16)25(28)29)24-22(27)17-9-5-6-10-20(17)31-14-21(26)23-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyZCDQKEPCRKZFAS-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.68
Rot. Bonds8

About 2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide

2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide (PubChem CID 2961701) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide
PubChem CID2961701
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H25N3O6/c1-30-16-11-12-18(19(13-16)25(28)29)24-22(27)17-9-5-6-10-20(17)31-14-21(26)23-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyZCDQKEPCRKZFAS-UHFFFAOYSA-N
XLogP3.68
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4879335
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide
CID 7267049
N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2935158
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide?
The IUPAC name of 2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide (CID 2961701) is 2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide.
What is the SMILES notation for 2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide?
The canonical SMILES for 2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide is COc1ccc(NC(=O)c2ccccc2OCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide?
The InChIKey is ZCDQKEPCRKZFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-30-16-11-12-18(19(13-16)25(28)29)24-22(27)17-9-5-6-10-20(17)31-14-21(26)23-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide?
2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide has a molecular weight of 427.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)-2-oxoethoxy]-N-(4-methoxy-2-nitrophenyl)benzamide is sourced from PubChem (CID 2961701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).