3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide

C13H19N3O4 — CID 62680516

IUPAC3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide
SMILESCCNc1cc(C(=O)N(C)CCOC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-4-14-11-9-10(5-6-12(11)16(18)19)13(17)15(2)7-8-20-3/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyBIKPRTLYZUYYND-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.75
Rot. Bonds7

About 3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide

3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide (PubChem CID 62680516) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide
PubChem CID62680516
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide
SMILESCCNc1cc(C(=O)N(C)CCOC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-4-14-11-9-10(5-6-12(11)16(18)19)13(17)15(2)7-8-20-3/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyBIKPRTLYZUYYND-UHFFFAOYSA-N
XLogP1.75
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.75
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-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide
CID 81062921
N-(2-methoxyethyl)-N-methyl-3-nitro-4-(propylamino)benzamide
CID 62178827
3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82989241
3-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-nitrobenzamide
CID 79379535
5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide
CID 62176883
4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
CID 60793718
3-(3-ethoxypropylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82990387
methyl 3-(3-methoxypropylamino)-4-nitrobenzoate
CID 66786483
3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide
CID 82988884
3-(ethylamino)-N-(2-methylsulfonylethyl)-4-nitrobenzamide
CID 62681723
3-[(3-methoxy-4-nitrobenzoyl)-methylamino]propanoic acid
CID 83767980
N-ethyl-3-(1-methoxypropan-2-ylamino)-4-nitrobenzamide
CID 82988680

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide?
The IUPAC name of 3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide (CID 62680516) is 3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide?
The canonical SMILES for 3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide is CCNc1cc(C(=O)N(C)CCOC)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide?
The InChIKey is BIKPRTLYZUYYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-14-11-9-10(5-6-12(11)16(18)19)13(17)15(2)7-8-20-3/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of 3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide?
3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide has a molecular weight of 281.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 62680516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).