N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide

C11H13N3O4 — CID 9224321

IUPACN-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide
SMILESCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O4/c1-2-12-10(15)7-13-11(16)8-3-5-9(6-4-8)14(17)18/h3-6H,2,7H2,1H3,(H,12,15)(H,13,16)
InChIKeyCDFJGBYPKZBOJB-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.46
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide

N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide (PubChem CID 9224321) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide
PubChem CID9224321
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide
SMILESCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O4/c1-2-12-10(15)7-13-11(16)8-3-5-9(6-4-8)14(17)18/h3-6H,2,7H2,1H3,(H,12,15)(H,13,16)
InChIKeyCDFJGBYPKZBOJB-UHFFFAOYSA-N
XLogP0.46
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299693
4-nitro-N-[2-(propanoylamino)ethyl]benzamide
CID 4153316
4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 60552577
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
N-[3-[2-(ethylcarbamothioyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 7977380
4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 102851007
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
N-(2-ethylsulfonylethyl)-4-nitrobenzamide
CID 51108652
N-(2-ethyl-2-hydroxybutyl)-4-nitrobenzamide
CID 65112701
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
N-[2-[[(2S)-1-[[2-[[(2S)-1-(hexylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 102479572

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide (CID 9224321) is N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide is CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide?
The InChIKey is CDFJGBYPKZBOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-2-12-10(15)7-13-11(16)8-3-5-9(6-4-8)14(17)18/h3-6H,2,7H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide?
N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide has a molecular weight of 251.24 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide is sourced from PubChem (CID 9224321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).