2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one

C28H29NO3 — CID 174632668

IUPAC2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one
SMILESCCC(Cc1cccc(C(=O)c2ccccc2)c1)(C(=O)c1ccccc1)C1CNCCO1
InChIInChI=1S/C28H29NO3/c1-2-28(25-20-29-16-17-32-25,27(31)23-13-7-4-8-14-23)19-21-10-9-15-24(18-21)26(30)22-11-5-3-6-12-22/h3-15,18,25,29H,2,16-17,19-20H2,1H3
InChIKeyDSXVTXSUUBYIJE-UHFFFAOYSA-N
MW427.54 g/mol
LogP4.73
Rot. Bonds8

About 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one

2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one (PubChem CID 174632668) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one
PubChem CID174632668
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one
SMILESCCC(Cc1cccc(C(=O)c2ccccc2)c1)(C(=O)c1ccccc1)C1CNCCO1
InChIInChI=1S/C28H29NO3/c1-2-28(25-20-29-16-17-32-25,27(31)23-13-7-4-8-14-23)19-21-10-9-15-24(18-21)26(30)22-11-5-3-6-12-22/h3-15,18,25,29H,2,16-17,19-20H2,1H3
InChIKeyDSXVTXSUUBYIJE-UHFFFAOYSA-N
XLogP4.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-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

(3,4-diaminophenyl)-[4-(2-morpholin-2-ylbutan-2-yloxy)phenyl]methanone
CID 54190454
2-morpholin-2-yl-1-(3-propylphenyl)ethanone
CID 116586299
2-benzyl-2-(dimethylamino)-1-(4-morpholin-2-ylphenyl)pentan-1-one
CID 174628580
2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174772585
[4-[3-chloro-2-(3-ethylphenyl)phenyl]-4-hydroxy-5-oxo-5-phenylpentyl]-morpholin-2-ylcarbamic acid
CID 69191600
2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one
CID 174401139
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one
CID 174632021
(2R)-3,3,4,4,4-pentafluoro-2-[(2S)-morpholin-2-yl]-1-phenylbutan-2-ol;hydrochloride
CID 57341574
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
[3-(chloromethyl)phenyl]-phenylmethanone
CID 12677421
3-[[[2-methyl-2-(oxan-2-yl)propanoyl]amino]methyl]benzoic acid
CID 136556238

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one?
The IUPAC name of 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one (CID 174632668) is 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one.
What is the SMILES notation for 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one?
The canonical SMILES for 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one is CCC(Cc1cccc(C(=O)c2ccccc2)c1)(C(=O)c1ccccc1)C1CNCCO1.
What is the InChIKey of 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one?
The InChIKey is DSXVTXSUUBYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c1-2-28(25-20-29-16-17-32-25,27(31)23-13-7-4-8-14-23)19-21-10-9-15-24(18-21)26(30)22-11-5-3-6-12-22/h3-15,18,25,29H,2,16-17,19-20H2,1H3.
What are the key properties of 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one?
2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one has a molecular weight of 427.54 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one is sourced from PubChem (CID 174632668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).