N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide

C12H15N3O4 — CID 18145617

IUPACN-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide
SMILESCCNC(=O)CNC(=O)c1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O4/c1-3-13-10(16)7-14-12(17)9-6-4-5-8(2)11(9)15(18)19/h4-6H,3,7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyDJGMKTMQOLMQCM-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.77
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide

N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide (PubChem CID 18145617) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide
PubChem CID18145617
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide
SMILESCCNC(=O)CNC(=O)c1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O4/c1-3-13-10(16)7-14-12(17)9-6-4-5-8(2)11(9)15(18)19/h4-6H,3,7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyDJGMKTMQOLMQCM-UHFFFAOYSA-N
XLogP0.77
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.77
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

N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 18145715
N-hexyl-3-methyl-2-nitrobenzamide
CID 4603212
3-methyl-N-[2-(methylamino)propyl]-2-nitrobenzamide;hydrochloride
CID 120828085
3-methyl-N-[2-methyl-3-(methylamino)propyl]-2-nitrobenzamide
CID 81478230
N-(2-chloro-3-methylbutyl)-3-methyl-2-nitrobenzamide
CID 113492952
N-[2-(2-bromoethoxy)ethyl]-3-methyl-2-nitrobenzamide
CID 114309493
3-[[(3-methyl-2-nitrobenzoyl)amino]methyl]pentanoic acid
CID 81067020
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-nitrobenzamide
CID 110902393
N-[(4-aminophenyl)methyl]-3-methyl-2-nitrobenzamide
CID 116649925
N-(5-iodopentyl)-3-methyl-2-nitrobenzamide
CID 107322295
N-(4-hydroxy-2-methylbutyl)-3-methyl-2-nitrobenzamide
CID 66108848

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide (CID 18145617) is N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide is CCNC(=O)CNC(=O)c1cccc(C)c1[N+](=O)[O-].
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide?
The InChIKey is DJGMKTMQOLMQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-13-10(16)7-14-12(17)9-6-4-5-8(2)11(9)15(18)19/h4-6H,3,7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide?
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-nitrobenzamide has a molecular weight of 265.27 g/mol, XLogP of 0.77, 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]-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 18145617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).