2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide

C16H22ClNO3 — CID 170322576

IUPAC2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide
SMILESCC(C)CC(Oc1ccc(Cl)cc1)C(=O)NOC1CCC1
InChIInChI=1S/C16H22ClNO3/c1-11(2)10-15(16(19)18-21-14-4-3-5-14)20-13-8-6-12(17)7-9-13/h6-9,11,14-15H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyAVVZOYQWDDTDBU-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.73
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide

2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide (PubChem CID 170322576) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide
PubChem CID170322576
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide
SMILESCC(C)CC(Oc1ccc(Cl)cc1)C(=O)NOC1CCC1
InChIInChI=1S/C16H22ClNO3/c1-11(2)10-15(16(19)18-21-14-4-3-5-14)20-13-8-6-12(17)7-9-13/h6-9,11,14-15H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyAVVZOYQWDDTDBU-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.73
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-cyclobutyloxypropanamide
CID 155413533
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide
CID 83202418
N-cyclopentyloxy-2,3-dimethylbutanamide
CID 83202498
2-chloro-N-cyclopentyloxypropanamide
CID 83228760
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812015
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867507
(2S)-2-(4-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27233651
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867384

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide (CID 170322576) is 2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide is CC(C)CC(Oc1ccc(Cl)cc1)C(=O)NOC1CCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide?
The InChIKey is AVVZOYQWDDTDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-11(2)10-15(16(19)18-21-14-4-3-5-14)20-13-8-6-12(17)7-9-13/h6-9,11,14-15H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide?
2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide has a molecular weight of 311.81 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-cyclobutyloxy-4-methylpentanamide is sourced from PubChem (CID 170322576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).