4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide

C13H19N3O4 — CID 82991065

IUPAC4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide
SMILESCCOCCNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-4-20-8-7-14-11-6-5-10(13(17)15(2)3)9-12(11)16(18)19/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyPVGFNQUDGDZOMP-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.75
Rot. Bonds7

About 4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide

4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide (PubChem CID 82991065) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide
PubChem CID82991065
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide
SMILESCCOCCNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-4-20-8-7-14-11-6-5-10(13(17)15(2)3)9-12(11)16(18)19/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyPVGFNQUDGDZOMP-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': '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

3-(3-ethoxypropylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82990387
4-(3-methoxypropylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82992510
N-(2-ethoxyethyl)-3-nitro-4-(propylamino)benzamide
CID 62186883
2-[4-(dimethylcarbamoyl)-2-nitroanilino]acetic acid
CID 82989393
4-(3-ethoxypropylamino)-3-nitrobenzamide
CID 43386231
3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82989241
4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82989700
methyl 4-[2-(2-methoxyethoxy)ethylamino]-3-nitrobenzoate
CID 177149291
3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide
CID 82988884
N,N-dimethyl-3-nitro-4-(pentan-3-ylamino)benzamide
CID 82993205
N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline
CID 162495808
N-(2-methoxyethyl)-N-methyl-3-nitro-4-(propylamino)benzamide
CID 62178827

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide?
The IUPAC name of 4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide (CID 82991065) is 4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide.
What is the SMILES notation for 4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide?
The canonical SMILES for 4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide is CCOCCNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide?
The InChIKey is PVGFNQUDGDZOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-20-8-7-14-11-6-5-10(13(17)15(2)3)9-12(11)16(18)19/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of 4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide?
4-(2-ethoxyethylamino)-N,N-dimethyl-3-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 4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 82991065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).