N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide

C14H20N2O5 — CID 103771368

IUPACN-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O5/c1-10(2)6-12(17)8-15-14(18)9-21-13-5-3-4-11(7-13)16(19)20/h3-5,7,10,12,17H,6,8-9H2,1-2H3,(H,15,18)
InChIKeyQARDDJVJUUAQRV-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.50
Rot. Bonds8

About N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide

N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide (PubChem CID 103771368) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide
PubChem CID103771368
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O5/c1-10(2)6-12(17)8-15-14(18)9-21-13-5-3-4-11(7-13)16(19)20/h3-5,7,10,12,17H,6,8-9H2,1-2H3,(H,15,18)
InChIKeyQARDDJVJUUAQRV-UHFFFAOYSA-N
XLogP1.50
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide
CID 119525329
N-(2-hydroxy-4-methylpentyl)-3-nitrobenzamide
CID 103771399
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
2-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 107832577
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418
2-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 43469185
2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771067
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
CID 43500706
ethyl 4-[[2-(3-nitrophenoxy)acetyl]amino]benzoate
CID 7865514
2-methyl-N-[3-[[[2-(3-nitrophenoxy)acetyl]amino]methyl]phenyl]butanamide
CID 55795241
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide (CID 103771368) is N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide is CC(C)CC(O)CNC(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide?
The InChIKey is QARDDJVJUUAQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10(2)6-12(17)8-15-14(18)9-21-13-5-3-4-11(7-13)16(19)20/h3-5,7,10,12,17H,6,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide?
N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide has a molecular weight of 296.32 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 103771368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).