4-(3-pentadecylphenoxy)butanamide

C25H43NO2 — CID 22354511

IUPAC4-(3-pentadecylphenoxy)butanamide
SMILESCCCCCCCCCCCCCCCc1cccc(OCCCC(N)=O)c1
InChIInChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-18-15-19-24(22-23)28-21-16-20-25(26)27/h15,18-19,22H,2-14,16-17,20-21H2,1H3,(H2,26,27)
InChIKeyDOPSNRWDKDAVFM-UHFFFAOYSA-N
MW389.62 g/mol
LogP6.96
Rot. Bonds19

About 4-(3-pentadecylphenoxy)butanamide

4-(3-pentadecylphenoxy)butanamide (PubChem CID 22354511) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is 4-(3-pentadecylphenoxy)butanamide.

Molecular Properties

Compound Name4-(3-pentadecylphenoxy)butanamide
PubChem CID22354511
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name4-(3-pentadecylphenoxy)butanamide
SMILESCCCCCCCCCCCCCCCc1cccc(OCCCC(N)=O)c1
InChIInChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-18-15-19-24(22-23)28-21-16-20-25(26)27/h15,18-19,22H,2-14,16-17,20-21H2,1H3,(H2,26,27)
InChIKeyDOPSNRWDKDAVFM-UHFFFAOYSA-N
XLogP6.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.96
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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Related Compounds

4-(3-ethylphenoxy)butanamide
CID 82040637
4-[3-(hydroxymethyl)phenoxy]butanamide
CID 123197567
7-(3-propoxyphenyl)heptan-3-one
CID 157062342
(3-pentylphenyl) octanoate;hydrobromide
CID 174977807
2-(3-octoxyphenyl)ethanol
CID 141227544
ethane;6-(3-propoxyphenyl)hexan-2-one
CID 157048681
2-(3-octoxyphenyl)acetic acid
CID 11975056
ethene;2-methyl-8-(3-propoxyphenyl)octan-3-one
CID 155707588
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759
3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide
CID 21019528

Frequently Asked Questions

What is the IUPAC name of 4-(3-pentadecylphenoxy)butanamide?
The IUPAC name of 4-(3-pentadecylphenoxy)butanamide (CID 22354511) is 4-(3-pentadecylphenoxy)butanamide.
What is the SMILES notation for 4-(3-pentadecylphenoxy)butanamide?
The canonical SMILES for 4-(3-pentadecylphenoxy)butanamide is CCCCCCCCCCCCCCCc1cccc(OCCCC(N)=O)c1.
What is the InChIKey of 4-(3-pentadecylphenoxy)butanamide?
The InChIKey is DOPSNRWDKDAVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-18-15-19-24(22-23)28-21-16-20-25(26)27/h15,18-19,22H,2-14,16-17,20-21H2,1H3,(H2,26,27).
What are the key properties of 4-(3-pentadecylphenoxy)butanamide?
4-(3-pentadecylphenoxy)butanamide has a molecular weight of 389.62 g/mol, XLogP of 6.96, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pentadecylphenoxy)butanamide is sourced from PubChem (CID 22354511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).