4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one

C24H32N2O2 — CID 156564758

IUPAC4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
SMILESCCC(N)CC(Cc1ccc(C)cc1)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-3-22(25)17-21(16-19-6-4-18(2)5-7-19)24(27)20-8-10-23(11-9-20)26-12-14-28-15-13-26/h4-11,21-22H,3,12-17,25H2,1-2H3
InChIKeyFJJZKXSRPHLZFY-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.00
Rot. Bonds8

About 4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one

4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one (PubChem CID 156564758) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one.

Molecular Properties

Compound Name4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
PubChem CID156564758
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
SMILESCCC(N)CC(Cc1ccc(C)cc1)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-3-22(25)17-21(16-19-6-4-18(2)5-7-19)24(27)20-8-10-23(11-9-20)26-12-14-28-15-13-26/h4-11,21-22H,3,12-17,25H2,1-2H3
InChIKeyFJJZKXSRPHLZFY-UHFFFAOYSA-N
XLogP4.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid
CID 131873298
(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 146309814
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489
4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 68890716
2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 156698871
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
2-ethyl-3-(4-morpholin-4-ylphenyl)-1,4-diphenylbutan-1-one
CID 175266354
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
methyl (2S)-2-acetamido-3-(4-morpholin-4-ylphenyl)propanoate
CID 75176217
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
CID 90024820

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one?
The IUPAC name of 4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one (CID 156564758) is 4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one.
What is the SMILES notation for 4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one?
The canonical SMILES for 4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one is CCC(N)CC(Cc1ccc(C)cc1)C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one?
The InChIKey is FJJZKXSRPHLZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-22(25)17-21(16-19-6-4-18(2)5-7-19)24(27)20-8-10-23(11-9-20)26-12-14-28-15-13-26/h4-11,21-22H,3,12-17,25H2,1-2H3.
What are the key properties of 4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one?
4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one has a molecular weight of 380.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one is sourced from PubChem (CID 156564758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).