4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one

C30H36N2O2 — CID 155041263

IUPAC4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one
SMILESCC(CC(C(=O)c1ccccc1CN1CCOCC1)(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C30H36N2O2/c1-24(31(2)3)22-30(26-13-6-4-7-14-26,27-15-8-5-9-16-27)29(33)28-17-11-10-12-25(28)23-32-18-20-34-21-19-32/h4-17,24H,18-23H2,1-3H3
InChIKeyGGBBYZYQDCDMAH-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.03
Rot. Bonds9

About 4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one

4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one (PubChem CID 155041263) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one
PubChem CID155041263
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one
SMILESCC(CC(C(=O)c1ccccc1CN1CCOCC1)(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C30H36N2O2/c1-24(31(2)3)22-30(26-13-6-4-7-14-26,27-15-8-5-9-16-27)29(33)28-17-11-10-12-25(28)23-32-18-20-34-21-19-32/h4-17,24H,18-23H2,1-3H3
InChIKeyGGBBYZYQDCDMAH-UHFFFAOYSA-N
XLogP5.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 131887032
CID 131887032
(4S)-4-(dimethylamino)-2,2-diphenyl-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pentan-1-one
CID 154665798
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
4-morpholin-4-yl-3,3-diphenylbutan-2-one
CID 23423770
6-morpholin-4-yl-4,4-diphenylheptan-3-one
CID 10089
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
(2S)-2-[[2-(morpholin-4-ylmethyl)benzoyl]amino]hexanoic acid
CID 120614385
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one?
The IUPAC name of 4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one (CID 155041263) is 4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one is CC(CC(C(=O)c1ccccc1CN1CCOCC1)(c1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of 4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one?
The InChIKey is GGBBYZYQDCDMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-24(31(2)3)22-30(26-13-6-4-7-14-26,27-15-8-5-9-16-27)29(33)28-17-11-10-12-25(28)23-32-18-20-34-21-19-32/h4-17,24H,18-23H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one?
4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one has a molecular weight of 456.63 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one is sourced from PubChem (CID 155041263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).