4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one

C22H29NO2 — CID 70415403

IUPAC4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one
SMILESCCCN(CCCC(=O)c1ccccc1)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C22H29NO2/c1-3-15-23(18(2)17-19-11-13-21(24)14-12-19)16-7-10-22(25)20-8-5-4-6-9-20/h4-6,8-9,11-14,18,24H,3,7,10,15-17H2,1-2H3
InChIKeyAFQJVXJYZMYTIJ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.70
Rot. Bonds10

About 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one

4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one (PubChem CID 70415403) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one
PubChem CID70415403
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one
SMILESCCCN(CCCC(=O)c1ccccc1)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C22H29NO2/c1-3-15-23(18(2)17-19-11-13-21(24)14-12-19)16-7-10-22(25)20-8-5-4-6-9-20/h4-6,8-9,11-14,18,24H,3,7,10,15-17H2,1-2H3
InChIKeyAFQJVXJYZMYTIJ-UHFFFAOYSA-N
XLogP4.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-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

4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one
CID 112662103
ethane;1-phenylpentan-1-one
CID 143728184
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368
1-phenylheptadecan-1-one
CID 577626
1-phenylbutan-1-one
CID 10315
1-[4-(2-methylpropyl)phenyl]decan-1-one
CID 65449495
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
4-[2-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981802
2-[N-[1-(4-hydroxyphenyl)propan-2-yl]anilino]acetic acid
CID 115496177
5-[4-[(2R)-2-[acetyl(methyl)amino]propyl]phenyl]-5-oxopentanoic acid
CID 57187704
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one?
The IUPAC name of 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one (CID 70415403) is 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one is CCCN(CCCC(=O)c1ccccc1)C(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one?
The InChIKey is AFQJVXJYZMYTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-3-15-23(18(2)17-19-11-13-21(24)14-12-19)16-7-10-22(25)20-8-5-4-6-9-20/h4-6,8-9,11-14,18,24H,3,7,10,15-17H2,1-2H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one?
4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one has a molecular weight of 339.48 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)propan-2-yl-propylamino]-1-phenylbutan-1-one is sourced from PubChem (CID 70415403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).