2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide

C11H17N5O3 — CID 80896043

IUPAC2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H17N5O3/c1-3-15(7-11(17)13-2)9-4-8(14-12)5-10(6-9)16(18)19/h4-6,14H,3,7,12H2,1-2H3,(H,13,17)
InChIKeyZMLZUUXJDCCCHJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.45
Rot. Bonds6

About 2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide

2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide (PubChem CID 80896043) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide
PubChem CID80896043
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H17N5O3/c1-3-15(7-11(17)13-2)9-4-8(14-12)5-10(6-9)16(18)19/h4-6,14H,3,7,12H2,1-2H3,(H,13,17)
InChIKeyZMLZUUXJDCCCHJ-UHFFFAOYSA-N
XLogP0.45
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[N-ethyl-3-(ethylamino)-5-nitroanilino]-N-methylacetamide
CID 80809284
3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
CID 80895595
2-(3-fluoro-5-nitro-N-propylanilino)-N-methylacetamide
CID 80752537
N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
CID 80917523
N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80894806
2-[N-butyl-3-(methylamino)-5-nitroanilino]acetamide
CID 80821108
methyl 2-(N-ethyl-3-methyl-5-nitroanilino)acetate
CID 112649682
ethyl 2-(N-ethyl-3-methyl-5-nitroanilino)acetate
CID 112649677
3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 80905083
3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-nitroaniline
CID 80899821
N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline
CID 80928455
N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909909

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide?
The IUPAC name of 2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide (CID 80896043) is 2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide.
What is the SMILES notation for 2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide?
The canonical SMILES for 2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide is CCN(CC(=O)NC)c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide?
The InChIKey is ZMLZUUXJDCCCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-3-15(7-11(17)13-2)9-4-8(14-12)5-10(6-9)16(18)19/h4-6,14H,3,7,12H2,1-2H3,(H,13,17).
What are the key properties of 2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide?
2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide has a molecular weight of 267.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide is sourced from PubChem (CID 80896043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).