2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide

C12H18N4O3 — CID 62508624

IUPAC2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C12H18N4O3/c1-3-14-12(17)8-15(4-2)11-6-5-9(16(18)19)7-10(11)13/h5-7H,3-4,8,13H2,1-2H3,(H,14,17)
InChIKeySDHNZUWYVIGLGQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.14
Rot. Bonds6

About 2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide

2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide (PubChem CID 62508624) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide
PubChem CID62508624
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C12H18N4O3/c1-3-14-12(17)8-15(4-2)11-6-5-9(16(18)19)7-10(11)13/h5-7H,3-4,8,13H2,1-2H3,(H,14,17)
InChIKeySDHNZUWYVIGLGQ-UHFFFAOYSA-N
XLogP1.14
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
CID 54987046
2-(2-amino-4-nitro-N-propylanilino)-N,N-dimethylacetamide
CID 62506474
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
2-(N-ethyl-2-formyl-4-nitroanilino)-N-methylacetamide
CID 61448850
2-(4-amino-N-ethyl-2-fluoroanilino)-N-ethylacetamide
CID 54986995
2-(2-chloro-N-ethyl-4-nitroanilino)acetic acid
CID 54949262
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
2-(2-cyano-N-ethyl-4-nitroanilino)-N-propan-2-ylacetamide
CID 78906895
2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 103137754
2-(diethylamino)-N-hydroxy-5-nitrobenzamide
CID 91678196
2-(3-cyano-N-ethyl-4-nitroanilino)-N-ethylacetamide
CID 115501053
2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
CID 54986511

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide (CID 62508624) is 2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide is CCNC(=O)CN(CC)c1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide?
The InChIKey is SDHNZUWYVIGLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-14-12(17)8-15(4-2)11-6-5-9(16(18)19)7-10(11)13/h5-7H,3-4,8,13H2,1-2H3,(H,14,17).
What are the key properties of 2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide?
2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide has a molecular weight of 266.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide is sourced from PubChem (CID 62508624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).