N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide

C14H20N2O4 — CID 102741844

IUPACN-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
SMILESCCC(CC)C(C)NC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H20N2O4/c1-4-10(5-2)9(3)15-14(18)11-7-6-8-12(13(11)17)16(19)20/h6-10,17H,4-5H2,1-3H3,(H,15,18)
InChIKeyNVNIKOLHHNBBHS-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.85
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide

N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide (PubChem CID 102741844) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
PubChem CID102741844
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
SMILESCCC(CC)C(C)NC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H20N2O4/c1-4-10(5-2)9(3)15-14(18)11-7-6-8-12(13(11)17)16(19)20/h6-10,17H,4-5H2,1-3H3,(H,15,18)
InChIKeyNVNIKOLHHNBBHS-UHFFFAOYSA-N
XLogP2.85
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzamide
CID 115679021
3-chloro-N-(3-ethylpentan-2-yl)-2-nitrobenzamide
CID 79840478
2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104862632
2-hydroxy-3-nitro-N-pent-4-en-2-ylbenzamide
CID 103800269
N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
CID 103799854
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99717080
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299
2-hydroxy-N-(2-methylsulfanylpropyl)-3-nitrobenzamide
CID 113322559
N-butan-2-yl-2-(ethylamino)-3-nitrobenzamide
CID 112580548
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide (CID 102741844) is N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide is CCC(CC)C(C)NC(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide?
The InChIKey is NVNIKOLHHNBBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-10(5-2)9(3)15-14(18)11-7-6-8-12(13(11)17)16(19)20/h6-10,17H,4-5H2,1-3H3,(H,15,18).
What are the key properties of N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide?
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide has a molecular weight of 280.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 102741844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).