(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide

C12H16ClNO4 — CID 164935442

IUPAC(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)[C@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO4/c1-9(12(15)14-17-8-7-16-2)18-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyXLVKDJRNAUNULS-VIFPVBQESA-N
MW273.72 g/mol
LogP1.80
Rot. Bonds7

About (2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide

(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide (PubChem CID 164935442) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
PubChem CID164935442
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)[C@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO4/c1-9(12(15)14-17-8-7-16-2)18-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyXLVKDJRNAUNULS-VIFPVBQESA-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-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide
CID 164935451
N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide
CID 79676608
2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide
CID 170322640
N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide
CID 112551058
(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 164935393
(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
CID 26179915
2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 79676776
2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethoxy)propanamide
CID 79676327
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218257
2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide
CID 115409892

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide (CID 164935442) is (2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide is COCCONC(=O)[C@H](C)Oc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide?
The InChIKey is XLVKDJRNAUNULS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-9(12(15)14-17-8-7-16-2)18-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide?
(2S)-2-(4-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 (2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 164935442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).