(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide

C18H20ClNO4 — CID 92540063

IUPAC(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4/c1-13(24-15-9-7-14(19)8-10-15)18(21)20-11-12-23-17-6-4-3-5-16(17)22-2/h3-10,13H,11-12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyFLPXMLDYACPGOF-ZDUSSCGKSA-N
MW349.81 g/mol
LogP3.31
Rot. Bonds8

About (2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide

(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide (PubChem CID 92540063) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
PubChem CID92540063
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4/c1-13(24-15-9-7-14(19)8-10-15)18(21)20-11-12-23-17-6-4-3-5-16(17)22-2/h3-10,13H,11-12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyFLPXMLDYACPGOF-ZDUSSCGKSA-N
XLogP3.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540065
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
CID 133164114
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896
2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18113570
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide (CID 92540063) is (2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide is COc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The InChIKey is FLPXMLDYACPGOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-13(24-15-9-7-14(19)8-10-15)18(21)20-11-12-23-17-6-4-3-5-16(17)22-2/h3-10,13H,11-12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide has a molecular weight of 349.81 g/mol, XLogP of 3.31, 8 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-(2-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 92540063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).