2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide

C20H24ClNO3 — CID 133165269

IUPAC2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C(C)C
InChIInChI=1S/C20H24ClNO3/c1-14(2)18-9-4-5-10-19(18)24-12-11-22-20(23)15(3)25-17-8-6-7-16(21)13-17/h4-10,13-15H,11-12H2,1-3H3,(H,22,23)
InChIKeyFBHXTVYVBBGCOY-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.43
Rot. Bonds8

About 2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide

2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide (PubChem CID 133165269) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
PubChem CID133165269
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C(C)C
InChIInChI=1S/C20H24ClNO3/c1-14(2)18-9-4-5-10-19(18)24-12-11-22-20(23)15(3)25-17-8-6-7-16(21)13-17/h4-10,13-15H,11-12H2,1-3H3,(H,22,23)
InChIKeyFBHXTVYVBBGCOY-UHFFFAOYSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
3-chloro-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539503
(2R)-2-(3-chlorophenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 92684006
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide (CID 133165269) is 2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C(C)C.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide?
The InChIKey is FBHXTVYVBBGCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-14(2)18-9-4-5-10-19(18)24-12-11-22-20(23)15(3)25-17-8-6-7-16(21)13-17/h4-10,13-15H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide?
2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide has a molecular weight of 361.87 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133165269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).