2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one

C36H40N2O2 — CID 174755377

IUPAC2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one
SMILESCN(C)C(CCCc1ccccc1)(C(=O)c1ccc(Cc2ccc(N3CCOCC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C36H40N2O2/c1-37(2)36(33-13-7-4-8-14-33,23-9-12-29-10-5-3-6-11-29)35(39)32-19-15-30(16-20-32)28-31-17-21-34(22-18-31)38-24-26-40-27-25-38/h3-8,10-11,13-22H,9,12,23-28H2,1-2H3
InChIKeyFFTHTBZVJDVJOJ-UHFFFAOYSA-N
MW532.73 g/mol
LogP6.78
Rot. Bonds11

About 2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one

2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one (PubChem CID 174755377) has the molecular formula C36H40N2O2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one
PubChem CID174755377
Molecular FormulaC36H40N2O2
Molecular Weight532.73 g/mol
Exact Mass532.31
IUPAC Name2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one
SMILESCN(C)C(CCCc1ccccc1)(C(=O)c1ccc(Cc2ccc(N3CCOCC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C36H40N2O2/c1-37(2)36(33-13-7-4-8-14-33,23-9-12-29-10-5-3-6-11-29)35(39)32-19-15-30(16-20-32)28-31-17-21-34(22-18-31)38-24-26-40-27-25-38/h3-8,10-11,13-22H,9,12,23-28H2,1-2H3
InChIKeyFFTHTBZVJDVJOJ-UHFFFAOYSA-N
XLogP6.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one
CID 174831575
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57110605
4-(4-benzylphenyl)morpholine
CID 11514364
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
2-benzyl-2-(dimethylamino)-3-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 152691568
2-[butyl(methyl)amino]-2-[(4-butylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 154135338
2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 164713973
2,2-dimethoxy-1,2-diphenylethanone;2-(dimethylamino)-2-ethyl-1-(4-morpholin-4-ylphenyl)-3-phenylpropane-1,3-dione
CID 158864367
3-[cyclopenta-2,4-dien-1-ylidene-(4-morpholin-4-ylphenyl)methyl]-N,N-dimethyl-1-phenylpentan-3-amine
CID 25166769
2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347604
N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-2-amine
CID 69032943
4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 68890716

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one?
The IUPAC name of 2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one (CID 174755377) is 2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one is CN(C)C(CCCc1ccccc1)(C(=O)c1ccc(Cc2ccc(N3CCOCC3)cc2)cc1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one?
The InChIKey is FFTHTBZVJDVJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O2/c1-37(2)36(33-13-7-4-8-14-33,23-9-12-29-10-5-3-6-11-29)35(39)32-19-15-30(16-20-32)28-31-17-21-34(22-18-31)38-24-26-40-27-25-38/h3-8,10-11,13-22H,9,12,23-28H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one?
2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one has a molecular weight of 532.73 g/mol, XLogP of 6.78, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one is sourced from PubChem (CID 174755377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).