N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide

C18H19N3O5 — CID 32938409

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C18H19N3O5/c1-3-19-17(22)11-26-14-9-7-13(8-10-14)20-18(23)15-5-4-6-16(12(15)2)21(24)25/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyCLHWFBQAZPIRAD-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.67
Rot. Bonds7

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide (PubChem CID 32938409) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide
PubChem CID32938409
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C18H19N3O5/c1-3-19-17(22)11-26-14-9-7-13(8-10-14)20-18(23)15-5-4-6-16(12(15)2)21(24)25/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyCLHWFBQAZPIRAD-UHFFFAOYSA-N
XLogP2.67
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
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-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 18231124
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 18145715
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
2-methyl-N-(4-methylsulfanylphenyl)-3-nitrobenzamide
CID 42369775
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
N-[4-[(2R)-butan-2-yl]phenyl]-2-methyl-3-nitrobenzamide
CID 1083362
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methyl-3-nitrobenzamide
CID 26852102
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 34871494
propan-2-yl 4-[(2-methyl-3-nitrobenzoyl)amino]benzoate
CID 17358306

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide (CID 32938409) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide is CCNC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide?
The InChIKey is CLHWFBQAZPIRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-19-17(22)11-26-14-9-7-13(8-10-14)20-18(23)15-5-4-6-16(12(15)2)21(24)25/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide has a molecular weight of 357.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 32938409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).