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

C16H25NO2 — CID 82101921

IUPAC2-(pentylamino)-1-(4-propoxyphenyl)ethanone
SMILESCCCCCNCC(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C16H25NO2/c1-3-5-6-11-17-13-16(18)14-7-9-15(10-8-14)19-12-4-2/h7-10,17H,3-6,11-13H2,1-2H3
InChIKeyDPJQRSDOJVDVIW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.44
Rot. Bonds10

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

2-(pentylamino)-1-(4-propoxyphenyl)ethanone (PubChem CID 82101921) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(pentylamino)-1-(4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(pentylamino)-1-(4-propoxyphenyl)ethanone
PubChem CID82101921
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(pentylamino)-1-(4-propoxyphenyl)ethanone
SMILESCCCCCNCC(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C16H25NO2/c1-3-5-6-11-17-13-16(18)14-7-9-15(10-8-14)19-12-4-2/h7-10,17H,3-6,11-13H2,1-2H3
InChIKeyDPJQRSDOJVDVIW-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.44
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

1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
2-(hexylamino)-1-(4-methylphenyl)ethanone
CID 82101213
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
3-(4-hexoxyphenyl)-3-oxopropanoic acid
CID 170886905
1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441
2-(hexylamino)-1-phenylethanone
CID 82101185
2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone
CID 82101917
1,6-bis(4-dodecoxyphenyl)hexane-1,3,4,6-tetrone
CID 71405251
N-butyl-4-propoxybenzamide
CID 17142951
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101873
4-butoxy-N-hexadecylbenzamide
CID 4936106

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)-1-(4-propoxyphenyl)ethanone?
The IUPAC name of 2-(pentylamino)-1-(4-propoxyphenyl)ethanone (CID 82101921) is 2-(pentylamino)-1-(4-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(pentylamino)-1-(4-propoxyphenyl)ethanone?
The canonical SMILES for 2-(pentylamino)-1-(4-propoxyphenyl)ethanone is CCCCCNCC(=O)c1ccc(OCCC)cc1.
What is the InChIKey of 2-(pentylamino)-1-(4-propoxyphenyl)ethanone?
The InChIKey is DPJQRSDOJVDVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-6-11-17-13-16(18)14-7-9-15(10-8-14)19-12-4-2/h7-10,17H,3-6,11-13H2,1-2H3.
What are the key properties of 2-(pentylamino)-1-(4-propoxyphenyl)ethanone?
2-(pentylamino)-1-(4-propoxyphenyl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)-1-(4-propoxyphenyl)ethanone is sourced from PubChem (CID 82101921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).