2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one

C22H29N3O2 — CID 174831575

IUPAC2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one
SMILESCNC(CCc1ccccc1)(NC)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-23-22(24-2,13-12-18-6-4-3-5-7-18)21(26)19-8-10-20(11-9-19)25-14-16-27-17-15-25/h3-11,23-24H,12-17H2,1-2H3
InChIKeyTXVAOFLZJUUYNX-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.47
Rot. Bonds8

About 2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one

2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one (PubChem CID 174831575) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one
PubChem CID174831575
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one
SMILESCNC(CCc1ccccc1)(NC)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-23-22(24-2,13-12-18-6-4-3-5-7-18)21(26)19-8-10-20(11-9-19)25-14-16-27-17-15-25/h3-11,23-24H,12-17H2,1-2H3
InChIKeyTXVAOFLZJUUYNX-UHFFFAOYSA-N
XLogP2.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one
CID 174755377
4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 68890716
[(2S)-2-benzyl-1-(4-morpholin-4-ylphenyl)-1-oxobutan-2-yl]-dimethylazanium
CID 6966491
2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 164713973
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57110605
[benzyl(dimethyl)stannyl]-(4-morpholin-4-ylphenyl)methanone
CID 174435606
2-amino-4,4-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57126058
4-(4-benzylphenyl)morpholine
CID 11514364
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347604
2-benzyl-2-(dimethylamino)-3-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 152691568

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one?
The IUPAC name of 2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one (CID 174831575) is 2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one?
The canonical SMILES for 2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one is CNC(CCc1ccccc1)(NC)C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one?
The InChIKey is TXVAOFLZJUUYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-23-22(24-2,13-12-18-6-4-3-5-7-18)21(26)19-8-10-20(11-9-19)25-14-16-27-17-15-25/h3-11,23-24H,12-17H2,1-2H3.
What are the key properties of 2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one?
2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one has a molecular weight of 367.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 174831575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).