N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide

C12H18N4O3 — CID 80788070

IUPACN-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide
SMILESCCNC(=O)CNc1cc(NCC)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H18N4O3/c1-3-13-9-5-10(7-11(6-9)16(18)19)15-8-12(17)14-4-2/h5-7,13,15H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyQIZWZQPGNKHVTO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.57
Rot. Bonds7

About N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide

N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide (PubChem CID 80788070) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide
PubChem CID80788070
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide
SMILESCCNC(=O)CNc1cc(NCC)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H18N4O3/c1-3-13-9-5-10(7-11(6-9)16(18)19)15-8-12(17)14-4-2/h5-7,13,15H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyQIZWZQPGNKHVTO-UHFFFAOYSA-N
XLogP1.57
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.57
H-Bond Donors ≤ 53
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-2-[3-nitro-5-(propylamino)anilino]acetamide
CID 80788196
2-[3-(ethylamino)-5-nitroanilino]ethanol
CID 80766231
2-[[2-(3-ethoxy-5-nitroanilino)acetyl]amino]acetic acid
CID 80742748
2-(2,4-dinitroanilino)-N-ethylacetamide
CID 60653895
6-[3-(ethylamino)-5-nitroanilino]hexan-1-ol
CID 107855192
3-N-(3,5-dichlorophenyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80768290
2-[3-(ethylamino)-5-nitroanilino]-N,N-dimethylpropanamide
CID 80803534
methyl 2-[3-(methylamino)-5-nitroanilino]acetate
CID 80778005
3-N-[2-(diethylamino)ethyl]-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80770128
2-[N-ethyl-3-(ethylamino)-5-nitroanilino]-N-methylacetamide
CID 80809284
N-ethyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810089
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide?
The IUPAC name of N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide (CID 80788070) is N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide.
What is the SMILES notation for N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide?
The canonical SMILES for N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide is CCNC(=O)CNc1cc(NCC)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide?
The InChIKey is QIZWZQPGNKHVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-13-9-5-10(7-11(6-9)16(18)19)15-8-12(17)14-4-2/h5-7,13,15H,3-4,8H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide?
N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide is sourced from PubChem (CID 80788070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).