4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide

C16H24ClNO3 — CID 2162906

IUPAC4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide
SMILESCCOCCCNC(=O)CCCOc1ccc(Cl)cc1C
InChIInChI=1S/C16H24ClNO3/c1-3-20-10-5-9-18-16(19)6-4-11-21-15-8-7-14(17)12-13(15)2/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyKFASTFSEIILUJI-UHFFFAOYSA-N
MW313.82 g/mol
LogP3.35
Rot. Bonds10

About 4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide

4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide (PubChem CID 2162906) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide
PubChem CID2162906
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide
SMILESCCOCCCNC(=O)CCCOc1ccc(Cl)cc1C
InChIInChI=1S/C16H24ClNO3/c1-3-20-10-5-9-18-16(19)6-4-11-21-15-8-7-14(17)12-13(15)2/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyKFASTFSEIILUJI-UHFFFAOYSA-N
XLogP3.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide (CID 2162906) is 4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide is CCOCCCNC(=O)CCCOc1ccc(Cl)cc1C.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide?
The InChIKey is KFASTFSEIILUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-3-20-10-5-9-18-16(19)6-4-11-21-15-8-7-14(17)12-13(15)2/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide?
4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide has a molecular weight of 313.82 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-(3-ethoxypropyl)butanamide is sourced from PubChem (CID 2162906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).