[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone

C22H28N2O2 — CID 110364195

IUPAC[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCOC(c3ccc(N(C)C)cc3)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)17-5-7-19(8-6-17)22(25)24-13-14-26-21(15-24)18-9-11-20(12-10-18)23(3)4/h5-12,16,21H,13-15H2,1-4H3
InChIKeyHOTVCDMIBGQRKJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.09
Rot. Bonds4

About [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone

[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 110364195) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID110364195
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCOC(c3ccc(N(C)C)cc3)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)17-5-7-19(8-6-17)22(25)24-13-14-26-21(15-24)18-9-11-20(12-10-18)23(3)4/h5-12,16,21H,13-15H2,1-4H3
InChIKeyHOTVCDMIBGQRKJ-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134770
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide
CID 110364135
methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364132
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 110364184
ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364133
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043
[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone
CID 81211880
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
N-[4-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166413641

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone (CID 110364195) is [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCOC(c3ccc(N(C)C)cc3)C2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is HOTVCDMIBGQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)17-5-7-19(8-6-17)22(25)24-13-14-26-21(15-24)18-9-11-20(12-10-18)23(3)4/h5-12,16,21H,13-15H2,1-4H3.
What are the key properties of [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone?
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 352.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 110364195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).