2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide

C12H16ClNO4 — CID 79676776

IUPAC2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C12H16ClNO4/c1-9(12(15)14-17-8-7-16-2)18-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyFSZBNDLBZBMTDZ-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.80
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide

2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide (PubChem CID 79676776) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
PubChem CID79676776
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C12H16ClNO4/c1-9(12(15)14-17-8-7-16-2)18-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyFSZBNDLBZBMTDZ-UHFFFAOYSA-N
XLogP1.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide
CID 79676608
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide (CID 79676776) is 2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide is COCCONC(=O)C(C)Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide?
The InChIKey is FSZBNDLBZBMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-9(12(15)14-17-8-7-16-2)18-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide?
2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide has a molecular weight of 273.72 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 79676776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).