1-(4-propoxyphenyl)-2-(propylamino)ethanone

C14H21NO2 — CID 82101916

IUPAC1-(4-propoxyphenyl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C14H21NO2/c1-3-9-15-11-14(16)12-5-7-13(8-6-12)17-10-4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyFQZHUPFADWCPKB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.66
Rot. Bonds8

About 1-(4-propoxyphenyl)-2-(propylamino)ethanone

1-(4-propoxyphenyl)-2-(propylamino)ethanone (PubChem CID 82101916) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(4-propoxyphenyl)-2-(propylamino)ethanone
PubChem CID82101916
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(4-propoxyphenyl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C14H21NO2/c1-3-9-15-11-14(16)12-5-7-13(8-6-12)17-10-4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyFQZHUPFADWCPKB-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.66
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

2-(pentylamino)-1-(4-propoxyphenyl)ethanone
CID 82101921
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone
CID 82101917
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101873
1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]-2-(propylamino)ethanone
CID 83953133
2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone
CID 82101214
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
N-butyl-4-propoxybenzamide
CID 17142951
3-(4-hexoxyphenyl)-3-oxopropanoic acid
CID 170886905

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)-2-(propylamino)ethanone?
The IUPAC name of 1-(4-propoxyphenyl)-2-(propylamino)ethanone (CID 82101916) is 1-(4-propoxyphenyl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(4-propoxyphenyl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(4-propoxyphenyl)-2-(propylamino)ethanone is CCCNCC(=O)c1ccc(OCCC)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)-2-(propylamino)ethanone?
The InChIKey is FQZHUPFADWCPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-9-15-11-14(16)12-5-7-13(8-6-12)17-10-4-2/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-propoxyphenyl)-2-(propylamino)ethanone?
1-(4-propoxyphenyl)-2-(propylamino)ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)-2-(propylamino)ethanone is sourced from PubChem (CID 82101916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).