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

C12H17N3O4 — CID 82989241

IUPAC3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide
SMILESCOCCNc1cc(C(=O)N(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-14(2)12(16)9-4-5-11(15(17)18)10(8-9)13-6-7-19-3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyHKHGZCZZHKMKPA-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.35
Rot. Bonds6

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

3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide (PubChem CID 82989241) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide.

Molecular Properties

Compound Name3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide
PubChem CID82989241
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide
SMILESCOCCNc1cc(C(=O)N(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-14(2)12(16)9-4-5-11(15(17)18)10(8-9)13-6-7-19-3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyHKHGZCZZHKMKPA-UHFFFAOYSA-N
XLogP1.35
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.35
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'}

Analyze 3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethoxypropylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82990387
4-(3-methoxypropylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82992510
3-(but-3-ynylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82988689
N,N-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]-4-nitrobenzamide
CID 82990657
N,N-dimethyl-3-(3-methylsulfanylpropylamino)-4-nitrobenzamide
CID 82988556
3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide
CID 62680516
N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide
CID 82990644
methyl 3-(3-methoxypropylamino)-4-nitrobenzoate
CID 66786483
4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82991065
3-[2-(2-methoxyethylamino)ethylamino]-4-nitrobenzamide
CID 83030808
3-[(2-amino-3-hydroxybutyl)amino]-N,N-dimethyl-4-nitrobenzamide
CID 82990915
3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide
CID 82988884

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide?
The IUPAC name of 3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide (CID 82989241) is 3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide.
What is the SMILES notation for 3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide?
The canonical SMILES for 3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide is COCCNc1cc(C(=O)N(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide?
The InChIKey is HKHGZCZZHKMKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-14(2)12(16)9-4-5-11(15(17)18)10(8-9)13-6-7-19-3/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide?
3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide has a molecular weight of 267.28 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide is sourced from PubChem (CID 82989241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).