N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide

C13H16N4O5 — CID 3402771

IUPACN-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCC(C)CNC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H16N4O5/c1-8(2)7-14-12(19)13(20)16-15-11(18)9-3-5-10(6-4-9)17(21)22/h3-6,8H,7H2,1-2H3,(H,14,19)(H,15,18)(H,16,20)
InChIKeyQKTGLJUEAWMSEZ-UHFFFAOYSA-N
MW308.29 g/mol
LogP0.13
Rot. Bonds4

About N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide

N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 3402771) has the molecular formula C13H16N4O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
PubChem CID3402771
Molecular FormulaC13H16N4O5
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC NameN-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCC(C)CNC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H16N4O5/c1-8(2)7-14-12(19)13(20)16-15-11(18)9-3-5-10(6-4-9)17(21)22/h3-6,8H,7H2,1-2H3,(H,14,19)(H,15,18)(H,16,20)
InChIKeyQKTGLJUEAWMSEZ-UHFFFAOYSA-N
XLogP0.13
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
CID 7040519
4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide
CID 4275309
(4-nitrophenyl)methyl N-(2-methylpropyl)carbamate
CID 22367016
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
propan-2-yl N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 57342828
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498
4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299693
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide
CID 4592576
N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide
CID 6228946
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide (CID 3402771) is N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide is CC(C)CNC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is QKTGLJUEAWMSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5/c1-8(2)7-14-12(19)13(20)16-15-11(18)9-3-5-10(6-4-9)17(21)22/h3-6,8H,7H2,1-2H3,(H,14,19)(H,15,18)(H,16,20).
What are the key properties of N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide?
N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 308.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 3402771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).