2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one

C43H54N4O3 — CID 175073819

IUPAC2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one
SMILESCN(C)C(Cc1ccccc1)C(C(=O)C(c1ccc(N2CCOCC2)cc1)C(Cc1ccccc1)N(C)C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C43H54N4O3/c1-44(2)39(31-33-11-7-5-8-12-33)41(35-15-19-37(20-16-35)46-23-27-49-28-24-46)43(48)42(40(45(3)4)32-34-13-9-6-10-14-34)36-17-21-38(22-18-36)47-25-29-50-30-26-47/h5-22,39-42H,23-32H2,1-4H3
InChIKeySIAXXUHCDRMCEK-UHFFFAOYSA-N
MW674.93 g/mol
LogP6.14
Rot. Bonds14

About 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one

2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one (PubChem CID 175073819) has the molecular formula C43H54N4O3 and a molecular weight of 674.93 g/mol. Its IUPAC name is 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one.

Molecular Properties

Compound Name2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one
PubChem CID175073819
Molecular FormulaC43H54N4O3
Molecular Weight674.93 g/mol
Exact Mass674.42
IUPAC Name2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one
SMILESCN(C)C(Cc1ccccc1)C(C(=O)C(c1ccc(N2CCOCC2)cc1)C(Cc1ccccc1)N(C)C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C43H54N4O3/c1-44(2)39(31-33-11-7-5-8-12-33)41(35-15-19-37(20-16-35)46-23-27-49-28-24-46)43(48)42(40(45(3)4)32-34-13-9-6-10-14-34)36-17-21-38(22-18-36)47-25-29-50-30-26-47/h5-22,39-42H,23-32H2,1-4H3
InChIKeySIAXXUHCDRMCEK-UHFFFAOYSA-N
XLogP6.14
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.93
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-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

2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal
CID 87659120
2-benzylbutanal;2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 175047147
2-ethyl-3-(4-morpholin-4-ylphenyl)-1,4-diphenylbutan-1-one
CID 175266354
4-[4-(1-phenylpentan-2-yl)phenyl]morpholine
CID 174948400
N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-2-amine
CID 69032943
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57110605
2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one
CID 68649647
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
CID 90024820
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 68890716
1-[ethyl(3-phenylpropyl)amino]-1-(4-morpholin-4-ylphenyl)propan-2-one
CID 155754250
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one?
The IUPAC name of 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one (CID 175073819) is 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one.
What is the SMILES notation for 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one?
The canonical SMILES for 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one is CN(C)C(Cc1ccccc1)C(C(=O)C(c1ccc(N2CCOCC2)cc1)C(Cc1ccccc1)N(C)C)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one?
The InChIKey is SIAXXUHCDRMCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54N4O3/c1-44(2)39(31-33-11-7-5-8-12-33)41(35-15-19-37(20-16-35)46-23-27-49-28-24-46)43(48)42(40(45(3)4)32-34-13-9-6-10-14-34)36-17-21-38(22-18-36)47-25-29-50-30-26-47/h5-22,39-42H,23-32H2,1-4H3.
What are the key properties of 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one?
2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one has a molecular weight of 674.93 g/mol, XLogP of 6.14, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one is sourced from PubChem (CID 175073819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).