N-[2-(ethylamino)ethyl]-2-nitrobenzamide

C11H15N3O3 — CID 62658043

IUPACN-[2-(ethylamino)ethyl]-2-nitrobenzamide
SMILESCCNCCNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-2-12-7-8-13-11(15)9-5-3-4-6-10(9)14(16)17/h3-6,12H,2,7-8H2,1H3,(H,13,15)
InChIKeyKTWVWEMNPMOPLQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.93
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-2-nitrobenzamide

N-[2-(ethylamino)ethyl]-2-nitrobenzamide (PubChem CID 62658043) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-nitrobenzamide
PubChem CID62658043
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[2-(ethylamino)ethyl]-2-nitrobenzamide
SMILESCCNCCNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-2-12-7-8-13-11(15)9-5-3-4-6-10(9)14(16)17/h3-6,12H,2,7-8H2,1H3,(H,13,15)
InChIKeyKTWVWEMNPMOPLQ-UHFFFAOYSA-N
XLogP0.93
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-2-nitrobenzamide
CID 15943
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848
N-[3-(diethylamino)propyl]-2-nitrobenzamide
CID 3286089
N-(3-chloropropyl)-2-nitrobenzamide
CID 3113440
N-(3-iodopropyl)-2-nitrobenzamide
CID 114504241
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505274
N-(2-methyl-4-oxobutyl)-2-nitrobenzamide
CID 175276651
N-(cyanomethyl)-2-nitrobenzamide
CID 2227427
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 25395219
methyl 6-[(2-nitrobenzoyl)amino]hexanoate
CID 31839179
N-(3-hydroxy-4,4-dimethylpentyl)-2-nitrobenzamide
CID 90523368

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-nitrobenzamide (CID 62658043) is N-[2-(ethylamino)ethyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-nitrobenzamide is CCNCCNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-nitrobenzamide?
The InChIKey is KTWVWEMNPMOPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-12-7-8-13-11(15)9-5-3-4-6-10(9)14(16)17/h3-6,12H,2,7-8H2,1H3,(H,13,15).
What are the key properties of N-[2-(ethylamino)ethyl]-2-nitrobenzamide?
N-[2-(ethylamino)ethyl]-2-nitrobenzamide has a molecular weight of 237.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-nitrobenzamide is sourced from PubChem (CID 62658043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).