N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide

C14H21N3O4 — CID 62173773

IUPACN-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)N(CC)CCOC)c1
InChIInChI=1S/C14H21N3O4/c1-4-15-11-6-7-13(17(19)20)12(10-11)14(18)16(5-2)8-9-21-3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyCWZBDEXKPBDIPE-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.14
Rot. Bonds8

About N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide

N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide (PubChem CID 62173773) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide
PubChem CID62173773
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)N(CC)CCOC)c1
InChIInChI=1S/C14H21N3O4/c1-4-15-11-6-7-13(17(19)20)12(10-11)14(18)16(5-2)8-9-21-3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyCWZBDEXKPBDIPE-UHFFFAOYSA-N
XLogP2.14
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.14
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-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
N-ethyl-5-(ethylamino)-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 62179542
5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62162116
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63007889
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
CID 55042834
5-(ethylamino)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-nitrobenzamide
CID 115987287
5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 63863167
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide
CID 62680516

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide?
The IUPAC name of N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide (CID 62173773) is N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide.
What is the SMILES notation for N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide?
The canonical SMILES for N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide is CCNc1ccc([N+](=O)[O-])c(C(=O)N(CC)CCOC)c1.
What is the InChIKey of N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide?
The InChIKey is CWZBDEXKPBDIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-15-11-6-7-13(17(19)20)12(10-11)14(18)16(5-2)8-9-21-3/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide?
N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide is sourced from PubChem (CID 62173773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).