4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide

C24H31NO3 — CID 112762986

IUPAC4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C24H31NO3/c1-16(2)21-8-6-9-22(17(3)4)24(21)25-23(27)10-7-15-28-20-13-11-19(12-14-20)18(5)26/h6,8-9,11-14,16-17H,7,10,15H2,1-5H3,(H,25,27)
InChIKeyCPWOCZFQOXTSPB-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.93
Rot. Bonds9

About 4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide

4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide (PubChem CID 112762986) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
PubChem CID112762986
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C24H31NO3/c1-16(2)21-8-6-9-22(17(3)4)24(21)25-23(27)10-7-15-28-20-13-11-19(12-14-20)18(5)26/h6,8-9,11-14,16-17H,7,10,15H2,1-5H3,(H,25,27)
InChIKeyCPWOCZFQOXTSPB-UHFFFAOYSA-N
XLogP5.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.93
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

4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 7790411
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide
CID 4270360
3-[4-(4-acetylphenoxy)butanoylamino]-2-methylpropanoic acid
CID 119236840
6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide
CID 22633579
4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
CID 7941418
4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 19201602
4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide
CID 27364869
4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 35344400
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide (CID 112762986) is 4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
The InChIKey is CPWOCZFQOXTSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-16(2)21-8-6-9-22(17(3)4)24(21)25-23(27)10-7-15-28-20-13-11-19(12-14-20)18(5)26/h6,8-9,11-14,16-17H,7,10,15H2,1-5H3,(H,25,27).
What are the key properties of 4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide?
4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide has a molecular weight of 381.52 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide is sourced from PubChem (CID 112762986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).