3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one

C17H25NO2 — CID 102848375

IUPAC3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(CCCO)C2CCC2)cc1
InChIInChI=1S/C17H25NO2/c1-14-6-8-15(9-7-14)17(20)10-12-18(11-3-13-19)16-4-2-5-16/h6-9,16,19H,2-5,10-13H2,1H3
InChIKeyYPJUGSHAYLXHFJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.80
Rot. Bonds8

About 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one

3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 102848375) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID102848375
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(CCCO)C2CCC2)cc1
InChIInChI=1S/C17H25NO2/c1-14-6-8-15(9-7-14)17(20)10-12-18(11-3-13-19)16-4-2-5-16/h6-9,16,19H,2-5,10-13H2,1H3
InChIKeyYPJUGSHAYLXHFJ-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Dimethylamino)-1-(4-hexylphenyl)propan-1-one
CID 3092218
3-(Dimethylamino)-1-(4-heptylphenyl)propan-1-one
CID 21653696
3-(Dibutylamino)-1-(4-hexylphenyl)propan-1-one
CID 23635364
(4-Tert-butylphenyl)(1-cyclobutylpiperidin-3-yl)methanone
CID 16187595
1-(4-Hexylphenyl)-3-[(2-hydroxyethyl)(methyl)amino]propan-1-one
CID 23635239
3-[Bis(propan-2-yl)amino]-1-(4-hexylphenyl)propan-1-one
CID 23635240
2-[(Dimethylamino)methyl]-3-hydroxy-1-phenylpropan-1-one;hydrochloride
CID 16655605
1-(4-Fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46231402
3-[2-Hydroxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 46232285
4-[3-[2-Hydroxyethyl(propan-2-yl)amino]propanoyl]benzonitrile
CID 46232328
1-[4-(1,1-Dimethylethyl)phenyl]-4-(4-hydroxypiperidin-1-yl)butan-1-one
CID 20261595
3-(Dicyclohexylamino)-1-(4-hexylphenyl)propan-1-one
CID 23635366

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one (CID 102848375) is 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCN(CCCO)C2CCC2)cc1.
What is the InChIKey of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is YPJUGSHAYLXHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-6-8-15(9-7-14)17(20)10-12-18(11-3-13-19)16-4-2-5-16/h6-9,16,19H,2-5,10-13H2,1H3.
What are the key properties of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one?
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 102848375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).