N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide

C17H17N3O5 — CID 32943243

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H17N3O5/c1-19(2)16(21)11-25-15-9-5-13(6-10-15)18-17(22)12-3-7-14(8-4-12)20(23)24/h3-10H,11H2,1-2H3,(H,18,22)
InChIKeyJQBWDVYJNOGWLP-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.31
Rot. Bonds6

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide (PubChem CID 32943243) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide
PubChem CID32943243
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H17N3O5/c1-19(2)16(21)11-25-15-9-5-13(6-10-15)18-17(22)12-3-7-14(8-4-12)20(23)24/h3-10H,11H2,1-2H3,(H,18,22)
InChIKeyJQBWDVYJNOGWLP-UHFFFAOYSA-N
XLogP2.31
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.31
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

4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-propan-2-ylbenzamide
CID 32943301
N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 19644971
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835
N-[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253599
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
N-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253557
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide (CID 32943243) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide is CN(C)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide?
The InChIKey is JQBWDVYJNOGWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-19(2)16(21)11-25-15-9-5-13(6-10-15)18-17(22)12-3-7-14(8-4-12)20(23)24/h3-10H,11H2,1-2H3,(H,18,22).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide has a molecular weight of 343.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 32943243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).