N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

C23H27F2N3O3 — CID 110281805

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN(C)CCC(NC(=O)C1OCC(=O)N(C)C1c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H27F2N3O3/c1-27(2)13-12-19(15-4-8-17(24)9-5-15)26-23(30)22-21(28(3)20(29)14-31-22)16-6-10-18(25)11-7-16/h4-11,19,21-22H,12-14H2,1-3H3,(H,26,30)
InChIKeyRJWYICUHAUSGPC-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.67
Rot. Bonds7

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 110281805) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID110281805
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN(C)CCC(NC(=O)C1OCC(=O)N(C)C1c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H27F2N3O3/c1-27(2)13-12-19(15-4-8-17(24)9-5-15)26-23(30)22-21(28(3)20(29)14-31-22)16-6-10-18(25)11-7-16/h4-11,19,21-22H,12-14H2,1-3H3,(H,26,30)
InChIKeyRJWYICUHAUSGPC-UHFFFAOYSA-N
XLogP2.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 110278553
(2S,3S)-N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457578
(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
CID 97457525
3-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-5-oxomorpholine-2-carboxamide
CID 75361012
(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457517
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 91957461
(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457540
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(2R,3R)-3-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457503
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 91954491
(2S,3R)-3-(4-fluorophenyl)-4-methyl-N-(1,2-oxazol-3-yl)-5-oxomorpholine-2-carboxamide
CID 97457632
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-ethylbutanamide
CID 110281896

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (CID 110281805) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is CN(C)CCC(NC(=O)C1OCC(=O)N(C)C1c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is RJWYICUHAUSGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-27(2)13-12-19(15-4-8-17(24)9-5-15)26-23(30)22-21(28(3)20(29)14-31-22)16-6-10-18(25)11-7-16/h4-11,19,21-22H,12-14H2,1-3H3,(H,26,30).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 110281805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).