N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide

C14H22N4O3 — CID 65042968

IUPACN-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C14H22N4O3/c1-4-14(5-2,6-3)16-13(19)10-7-8-12(18(20)21)11(9-10)17-15/h7-9,17H,4-6,15H2,1-3H3,(H,16,19)
InChIKeyNSWSYOSAYJAPSB-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.58
Rot. Bonds7

About N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide

N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide (PubChem CID 65042968) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
PubChem CID65042968
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C14H22N4O3/c1-4-14(5-2,6-3)16-13(19)10-7-8-12(18(20)21)11(9-10)17-15/h7-9,17H,4-6,15H2,1-3H3,(H,16,19)
InChIKeyNSWSYOSAYJAPSB-UHFFFAOYSA-N
XLogP2.58
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
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-(3-ethylpentan-3-yl)-3-fluoro-4-nitrobenzamide
CID 65038833
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
N-[3-(aminomethyl)pentan-3-yl]-4-methylsulfanyl-3-nitrobenzamide
CID 119570929
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
N-[3-(aminomethyl)pentan-3-yl]-4-methylsulfanyl-3-nitrobenzamide;hydrochloride
CID 119570928
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
CID 79378491
3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63961052
N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide
CID 63996005
3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide
CID 107590008
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide
CID 62682526

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide (CID 65042968) is N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide is CCC(CC)(CC)NC(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide?
The InChIKey is NSWSYOSAYJAPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-14(5-2,6-3)16-13(19)10-7-8-12(18(20)21)11(9-10)17-15/h7-9,17H,4-6,15H2,1-3H3,(H,16,19).
What are the key properties of N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide?
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide has a molecular weight of 294.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide is sourced from PubChem (CID 65042968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).