N-butyl-2-(4-propoxyphenoxy)acetamide

C15H23NO3 — CID 112775304

IUPACN-butyl-2-(4-propoxyphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(OCCC)cc1
InChIInChI=1S/C15H23NO3/c1-3-5-10-16-15(17)12-19-14-8-6-13(7-9-14)18-11-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,16,17)
InChIKeyXVJBPOZFKXSIRK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds9

About N-butyl-2-(4-propoxyphenoxy)acetamide

N-butyl-2-(4-propoxyphenoxy)acetamide (PubChem CID 112775304) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-butyl-2-(4-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-propoxyphenoxy)acetamide
PubChem CID112775304
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-butyl-2-(4-propoxyphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(OCCC)cc1
InChIInChI=1S/C15H23NO3/c1-3-5-10-16-15(17)12-19-14-8-6-13(7-9-14)18-11-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,16,17)
InChIKeyXVJBPOZFKXSIRK-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.77
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-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395
N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78931016
N-butyl-2-[4-(1-hydroxyethyl)phenoxy]acetamide
CID 54956588
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
methyl 2-[4-[2-(butylamino)-2-oxoethoxy]phenyl]acetate
CID 112786526
N-butyl-4-propoxybenzamide
CID 17142951
N-ethyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetamide
CID 86907761
N-(butylcarbamoyl)-2-(4-ethoxyphenoxy)acetamide
CID 9353681
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
CID 61485616

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-propoxyphenoxy)acetamide?
The IUPAC name of N-butyl-2-(4-propoxyphenoxy)acetamide (CID 112775304) is N-butyl-2-(4-propoxyphenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(4-propoxyphenoxy)acetamide?
The canonical SMILES for N-butyl-2-(4-propoxyphenoxy)acetamide is CCCCNC(=O)COc1ccc(OCCC)cc1.
What is the InChIKey of N-butyl-2-(4-propoxyphenoxy)acetamide?
The InChIKey is XVJBPOZFKXSIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-5-10-16-15(17)12-19-14-8-6-13(7-9-14)18-11-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,16,17).
What are the key properties of N-butyl-2-(4-propoxyphenoxy)acetamide?
N-butyl-2-(4-propoxyphenoxy)acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-propoxyphenoxy)acetamide is sourced from PubChem (CID 112775304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).