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

C14H20N2O4 — CID 134023288

IUPACN-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
SMILESCC(C)CCCNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-11(2)6-5-9-15-14(17)10-20-13-8-4-3-7-12(13)16(18)19/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyUXIUTUKOMZGTER-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.53
Rot. Bonds8

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

N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 134023288) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
PubChem CID134023288
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
SMILESCC(C)CCCNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-11(2)6-5-9-15-14(17)10-20-13-8-4-3-7-12(13)16(18)19/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyUXIUTUKOMZGTER-UHFFFAOYSA-N
XLogP2.53
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
CID 107299515
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 7916925
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
N-(4-hydroxybutan-2-yl)-2-(2-nitrophenoxy)acetamide
CID 115283580
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
CID 51222276
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 115700067
N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 120653870
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide (CID 134023288) is N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide is CC(C)CCCNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is UXIUTUKOMZGTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-11(2)6-5-9-15-14(17)10-20-13-8-4-3-7-12(13)16(18)19/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide?
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 280.32 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 134023288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).