2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide

C20H24ClNO2 — CID 3676549

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-15-14-18(21)11-12-19(15)24-16(2)20(23)22-13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,16H,6-7,10,13H2,1-2H3,(H,22,23)
InChIKeyUFEPNEWHLXASRP-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.55
Rot. Bonds8

About 2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide (PubChem CID 3676549) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide
PubChem CID3676549
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-15-14-18(21)11-12-19(15)24-16(2)20(23)22-13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,16H,6-7,10,13H2,1-2H3,(H,22,23)
InChIKeyUFEPNEWHLXASRP-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide (CID 3676549) is 2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NCCCCc1ccccc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide?
The InChIKey is UFEPNEWHLXASRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-15-14-18(21)11-12-19(15)24-16(2)20(23)22-13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,16H,6-7,10,13H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide has a molecular weight of 345.87 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-phenylbutyl)propanamide is sourced from PubChem (CID 3676549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).