3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide

C11H17N5O3 — CID 106918774

IUPAC3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-13-10(17)6-7-15(2)9-5-3-4-8(14-12)11(9)16(18)19/h3-5,14H,6-7,12H2,1-2H3,(H,13,17)
InChIKeyHTRCSGCSFDNZSE-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.45
Rot. Bonds6

About 3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide

3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide (PubChem CID 106918774) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
PubChem CID106918774
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-13-10(17)6-7-15(2)9-5-3-4-8(14-12)11(9)16(18)19/h3-5,14H,6-7,12H2,1-2H3,(H,13,17)
InChIKeyHTRCSGCSFDNZSE-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

3-(3-amino-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918451
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
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-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 80899610
3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 80899062
3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 80913076
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
CID 80771729
3-N-ethyl-1-N,3-N-dimethyl-2-nitrobenzene-1,3-diamine
CID 80774350

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide?
The IUPAC name of 3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide (CID 106918774) is 3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide?
The canonical SMILES for 3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide is CNC(=O)CCN(C)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide?
The InChIKey is HTRCSGCSFDNZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-13-10(17)6-7-15(2)9-5-3-4-8(14-12)11(9)16(18)19/h3-5,14H,6-7,12H2,1-2H3,(H,13,17).
What are the key properties of 3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide?
3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide 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 3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide is sourced from PubChem (CID 106918774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).