3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one

C16H25NO — CID 3951967

IUPAC3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one
SMILESCCCCCc1ccc(C(=O)CCN(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-5-6-7-14-8-10-15(11-9-14)16(18)12-13-17(2)3/h8-11H,4-7,12-13H2,1-3H3
InChIKeyADPVOZXEJPIYPG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds8

About 3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one

3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one (PubChem CID 3951967) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one
PubChem CID3951967
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one
SMILESCCCCCc1ccc(C(=O)CCN(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-5-6-7-14-8-10-15(11-9-14)16(18)12-13-17(2)3/h8-11H,4-7,12-13H2,1-3H3
InChIKeyADPVOZXEJPIYPG-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-heptylphenyl)-4-oxobutanoic acid
CID 2801472
3-chloro-1-(4-heptylphenyl)propan-1-one
CID 18475165
1-(4-hexylphenyl)-3-methoxypropan-1-one
CID 82050296
1-(4-propylphenyl)decan-1-one
CID 65449493
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
5-(4-octylphenyl)-5-oxopentanal
CID 134936348
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550
2-bromo-1-(4-octylphenyl)ethanone
CID 11301375
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
4-pentylbenzoyl bromide
CID 87349955
4-(4-butylphenyl)-4-oxobutanamide
CID 47319697
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one (CID 3951967) is 3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one is CCCCCc1ccc(C(=O)CCN(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one?
The InChIKey is ADPVOZXEJPIYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-5-6-7-14-8-10-15(11-9-14)16(18)12-13-17(2)3/h8-11H,4-7,12-13H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one?
3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one is sourced from PubChem (CID 3951967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).