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

C14H20N2O5 — CID 103771047

IUPACN-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O5/c1-10(2)7-11(17)8-15-14(18)9-21-13-6-4-3-5-12(13)16(19)20/h3-6,10-11,17H,7-9H2,1-2H3,(H,15,18)
InChIKeyRNLQDDGIJACZQT-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.50
Rot. Bonds8

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

N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 103771047) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
PubChem CID103771047
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O5/c1-10(2)7-11(17)8-15-14(18)9-21-13-6-4-3-5-12(13)16(19)20/h3-6,10-11,17H,7-9H2,1-2H3,(H,15,18)
InChIKeyRNLQDDGIJACZQT-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-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 120653870
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107150626
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
CID 107299515
2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 107155288
N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide
CID 103771368
N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide
CID 84552740
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide (CID 103771047) is N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide is CC(C)CC(O)CNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is RNLQDDGIJACZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10(2)7-11(17)8-15-14(18)9-21-13-6-4-3-5-12(13)16(19)20/h3-6,10-11,17H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide?
N-(2-hydroxy-4-methylpentyl)-2-(2-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-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 103771047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).