2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide

C13H19ClN2O3 — CID 104593764

IUPAC2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
SMILESCC(O)CNCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3/c1-10(17)8-15-6-7-16-13(18)9-19-12-4-2-11(14)3-5-12/h2-5,10,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyOPXMXGDXDPPGBM-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.81
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide (PubChem CID 104593764) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
PubChem CID104593764
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
SMILESCC(O)CNCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3/c1-10(17)8-15-6-7-16-13(18)9-19-12-4-2-11(14)3-5-12/h2-5,10,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyOPXMXGDXDPPGBM-UHFFFAOYSA-N
XLogP0.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-cyanoacetamide
CID 108537322
2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide
CID 62666128

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide (CID 104593764) is 2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide is CC(O)CNCCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
The InChIKey is OPXMXGDXDPPGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-10(17)8-15-6-7-16-13(18)9-19-12-4-2-11(14)3-5-12/h2-5,10,15,17H,6-9H2,1H3,(H,16,18).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide has a molecular weight of 286.76 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide is sourced from PubChem (CID 104593764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).