N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide

C18H19N3O5 — CID 9094852

IUPACN-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-3-20(18(23)13-5-4-6-15(11-13)21(24)25)12-17(22)19-14-7-9-16(26-2)10-8-14/h4-11H,3,12H2,1-2H3,(H,19,22)
InChIKeyBIQQTLCIZANISS-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.70
Rot. Bonds7

About N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide

N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide (PubChem CID 9094852) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
PubChem CID9094852
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-3-20(18(23)13-5-4-6-15(11-13)21(24)25)12-17(22)19-14-7-9-16(26-2)10-8-14/h4-11H,3,12H2,1-2H3,(H,19,22)
InChIKeyBIQQTLCIZANISS-UHFFFAOYSA-N
XLogP2.70
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.70
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-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055871
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 7769709
2-[(4-methoxyphenyl)methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]-N-(3-nitrophenyl)acetamide
CID 3933915
N-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253557
ethyl 3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]-5-nitrobenzoate
CID 9438488
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide
CID 4882260
2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 9094853
N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide;methane
CID 158645536
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-nitrobenzamide
CID 28546320
3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide (CID 9094852) is N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is BIQQTLCIZANISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-20(18(23)13-5-4-6-15(11-13)21(24)25)12-17(22)19-14-7-9-16(26-2)10-8-14/h4-11H,3,12H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide?
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 357.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 9094852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).