2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide

C12H19N5O3 — CID 80900074

IUPAC2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-8(2)14-11(18)7-16(3)10-6-4-5-9(15-13)12(10)17(19)20/h4-6,8,15H,7,13H2,1-3H3,(H,14,18)
InChIKeyMBQQPLQXTVAYOH-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.84
Rot. Bonds6

About 2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide

2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide (PubChem CID 80900074) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
PubChem CID80900074
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-8(2)14-11(18)7-16(3)10-6-4-5-9(15-13)12(10)17(19)20/h4-6,8,15H,7,13H2,1-3H3,(H,14,18)
InChIKeyMBQQPLQXTVAYOH-UHFFFAOYSA-N
XLogP0.84
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.84
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-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483
3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918774
3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 80899062
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 80913076
3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 80925776
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide
CID 114041230
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 80899610

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide (CID 80900074) is 2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide?
The InChIKey is MBQQPLQXTVAYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-8(2)14-11(18)7-16(3)10-6-4-5-9(15-13)12(10)17(19)20/h4-6,8,15H,7,13H2,1-3H3,(H,14,18).
What are the key properties of 2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide?
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide has a molecular weight of 281.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 80900074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).