N-[3-(5-hydroxypentoxy)phenyl]acetamide

C13H19NO3 — CID 62229002

IUPACN-[3-(5-hydroxypentoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCCCO)c1
InChIInChI=1S/C13H19NO3/c1-11(16)14-12-6-5-7-13(10-12)17-9-4-2-3-8-15/h5-7,10,15H,2-4,8-9H2,1H3,(H,14,16)
InChIKeyDCPMYOMHBFTDSR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.19
Rot. Bonds7

About N-[3-(5-hydroxypentoxy)phenyl]acetamide

N-[3-(5-hydroxypentoxy)phenyl]acetamide (PubChem CID 62229002) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[3-(5-hydroxypentoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-hydroxypentoxy)phenyl]acetamide
PubChem CID62229002
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[3-(5-hydroxypentoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCCCO)c1
InChIInChI=1S/C13H19NO3/c1-11(16)14-12-6-5-7-13(10-12)17-9-4-2-3-8-15/h5-7,10,15H,2-4,8-9H2,1H3,(H,14,16)
InChIKeyDCPMYOMHBFTDSR-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide
CID 89411116
(3-hexoxyphenyl)urea
CID 102387253
butyl 2-(3-acetamidophenoxy)acetate
CID 54941709
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-hydroxypentoxy)phenyl]acetamide?
The IUPAC name of N-[3-(5-hydroxypentoxy)phenyl]acetamide (CID 62229002) is N-[3-(5-hydroxypentoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(5-hydroxypentoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(5-hydroxypentoxy)phenyl]acetamide is CC(=O)Nc1cccc(OCCCCCO)c1.
What is the InChIKey of N-[3-(5-hydroxypentoxy)phenyl]acetamide?
The InChIKey is DCPMYOMHBFTDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11(16)14-12-6-5-7-13(10-12)17-9-4-2-3-8-15/h5-7,10,15H,2-4,8-9H2,1H3,(H,14,16).
What are the key properties of N-[3-(5-hydroxypentoxy)phenyl]acetamide?
N-[3-(5-hydroxypentoxy)phenyl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-hydroxypentoxy)phenyl]acetamide is sourced from PubChem (CID 62229002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).