N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide

C14H20N4O3 — CID 80789372

IUPACN-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide
SMILESCCNc1cccc(N(C)CC(=O)NC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c1-3-15-11-5-4-6-12(14(11)18(20)21)17(2)9-13(19)16-10-7-8-10/h4-6,10,15H,3,7-9H2,1-2H3,(H,16,19)
InChIKeyZUVQUNXRBPTKMG-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.74
Rot. Bonds7

About N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide

N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide (PubChem CID 80789372) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide
PubChem CID80789372
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide
SMILESCCNc1cccc(N(C)CC(=O)NC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c1-3-15-11-5-4-6-12(14(11)18(20)21)17(2)9-13(19)16-10-7-8-10/h4-6,10,15H,3,7-9H2,1-2H3,(H,16,19)
InChIKeyZUVQUNXRBPTKMG-UHFFFAOYSA-N
XLogP1.74
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
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-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide
CID 80792309
3-N-(cyclobutylmethyl)-1-N-ethyl-3-N-methyl-2-nitrobenzene-1,3-diamine
CID 80825696
2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
CID 80771729
2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol
CID 80810485
1-N,3-N,3-N-triethyl-2-nitrobenzene-1,3-diamine
CID 80766771
2-[3-(ethylamino)-N-methyl-2-nitroanilino]propan-1-ol
CID 104557063
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
3-N-cyclohexyl-1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 80751437
1-[3-(ethylamino)-N-methyl-2-nitroanilino]-3-methoxypropan-2-ol
CID 80810177
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-nitrobenzoic acid
CID 115542191
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114540515

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide (CID 80789372) is N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide is CCNc1cccc(N(C)CC(=O)NC2CC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide?
The InChIKey is ZUVQUNXRBPTKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-15-11-5-4-6-12(14(11)18(20)21)17(2)9-13(19)16-10-7-8-10/h4-6,10,15H,3,7-9H2,1-2H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide?
N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide is sourced from PubChem (CID 80789372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).