2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide

C13H16ClNO3 — CID 155413533

IUPAC2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NOC1CCC1
InChIInChI=1S/C13H16ClNO3/c1-9(13(16)15-18-12-3-2-4-12)17-11-7-5-10(14)6-8-11/h5-9,12H,2-4H2,1H3,(H,15,16)
InChIKeyYMVFBBPAJJSACO-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.71
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide

2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide (PubChem CID 155413533) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide
PubChem CID155413533
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NOC1CCC1
InChIInChI=1S/C13H16ClNO3/c1-9(13(16)15-18-12-3-2-4-12)17-11-7-5-10(14)6-8-11/h5-9,12H,2-4H2,1H3,(H,15,16)
InChIKeyYMVFBBPAJJSACO-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide
CID 170322576
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812015
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide
CID 164935451
N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide
CID 112551058
(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 164935393
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide
CID 170322536

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide (CID 155413533) is 2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide is CC(Oc1ccc(Cl)cc1)C(=O)NOC1CCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide?
The InChIKey is YMVFBBPAJJSACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9(13(16)15-18-12-3-2-4-12)17-11-7-5-10(14)6-8-11/h5-9,12H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide?
2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide has a molecular weight of 269.73 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide is sourced from PubChem (CID 155413533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).