N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide

C13H18N4O3 — CID 62242335

IUPACN-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O3/c1-8(9-3-4-9)16(2)13(18)10-5-6-11(15-14)12(7-10)17(19)20/h5-9,15H,3-4,14H2,1-2H3
InChIKeyBUSGFAMLAFQZBZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.75
Rot. Bonds5

About N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide

N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide (PubChem CID 62242335) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
PubChem CID62242335
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O3/c1-8(9-3-4-9)16(2)13(18)10-5-6-11(15-14)12(7-10)17(19)20/h5-9,15H,3-4,14H2,1-2H3
InChIKeyBUSGFAMLAFQZBZ-UHFFFAOYSA-N
XLogP1.75
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680223
4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115987377
4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82993221
4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 62247819
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide
CID 82949433
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
4-(1-cyclopropylpropan-2-ylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82993209
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 62236416
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
CID 79845633
4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 107074108

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide (CID 62242335) is N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide is CC(C1CC1)N(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide?
The InChIKey is BUSGFAMLAFQZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8(9-3-4-9)16(2)13(18)10-5-6-11(15-14)12(7-10)17(19)20/h5-9,15H,3-4,14H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide?
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 62242335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).