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

C11H17N5O3 — CID 80907483

IUPAC2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-7(2)14-10(17)6-13-8-4-3-5-9(15-12)11(8)16(18)19/h3-5,7,13,15H,6,12H2,1-2H3,(H,14,17)
InChIKeyZSGNWDHKCVTLCM-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.82
Rot. Bonds6

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

2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide (PubChem CID 80907483) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
PubChem CID80907483
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-7(2)14-10(17)6-13-8-4-3-5-9(15-12)11(8)16(18)19/h3-5,7,13,15H,6,12H2,1-2H3,(H,14,17)
InChIKeyZSGNWDHKCVTLCM-UHFFFAOYSA-N
XLogP0.82
TPSA122.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.82
H-Bond Donors ≤ 54
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-amino-2-nitroanilino)-N-propan-2-ylacetamide
CID 80792422
2-nitro-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 115542190
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795
3-(3-hydrazinyl-2-nitroanilino)-2-methylsulfanylbutan-1-ol
CID 106163685
methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate
CID 80897344
1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
CID 80914199
N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 80899786
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide (CID 80907483) is 2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide?
The InChIKey is ZSGNWDHKCVTLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7(2)14-10(17)6-13-8-4-3-5-9(15-12)11(8)16(18)19/h3-5,7,13,15H,6,12H2,1-2H3,(H,14,17).
What are the key properties of 2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide?
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide has a molecular weight of 267.29 g/mol, XLogP of 0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 80907483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).