N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide

C11H15ClN2O3 — CID 112501724

IUPACN-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(CNC(=O)COc1ccc(Cl)cc1)ON
InChIInChI=1S/C11H15ClN2O3/c1-8(17-13)6-14-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyNBHYLJRFCWOHCU-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.11
Rot. Bonds6

About N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide

N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 112501724) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
PubChem CID112501724
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC NameN-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(CNC(=O)COc1ccc(Cl)cc1)ON
InChIInChI=1S/C11H15ClN2O3/c1-8(17-13)6-14-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyNBHYLJRFCWOHCU-UHFFFAOYSA-N
XLogP1.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide
CID 62666128
2-(4-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653266
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
N-(2-chloro-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
CID 113272098
2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
CID 113274546
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide (CID 112501724) is N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide is CC(CNC(=O)COc1ccc(Cl)cc1)ON.
What is the InChIKey of N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is NBHYLJRFCWOHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-8(17-13)6-14-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide?
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 258.70 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 112501724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).