[4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane

C19H33N3O2 — CID 145029225

IUPAC[4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane
SMILESCC.CN[C@@H](C)C(c1ccc(C(=O)N2CCOCC2)cc1)N(C)C
InChIInChI=1S/C17H27N3O2.C2H6/c1-13(18-2)16(19(3)4)14-5-7-15(8-6-14)17(21)20-9-11-22-12-10-20;1-2/h5-8,13,16,18H,9-12H2,1-4H3;1-2H3/t13-,16?;/m0./s1
InChIKeyDQUSFBZUMDLHON-MRTSDAHRSA-N
MW335.49 g/mol
LogP2.40
Rot. Bonds5

About [4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane

[4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane (PubChem CID 145029225) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is [4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane.

Molecular Properties

Compound Name[4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane
PubChem CID145029225
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name[4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane
SMILESCC.CN[C@@H](C)C(c1ccc(C(=O)N2CCOCC2)cc1)N(C)C
InChIInChI=1S/C17H27N3O2.C2H6/c1-13(18-2)16(19(3)4)14-5-7-15(8-6-14)17(21)20-9-11-22-12-10-20;1-2/h5-8,13,16,18H,9-12H2,1-4H3;1-2H3/t13-,16?;/m0./s1
InChIKeyDQUSFBZUMDLHON-MRTSDAHRSA-N
XLogP2.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
CID 120825215
2-amino-2-(4-methylphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 120667122
1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 51935416
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119982357
N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045407
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119972328
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane?
The IUPAC name of [4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane (CID 145029225) is [4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane.
What is the SMILES notation for [4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane?
The canonical SMILES for [4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane is CC.CN[C@@H](C)C(c1ccc(C(=O)N2CCOCC2)cc1)N(C)C.
What is the InChIKey of [4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane?
The InChIKey is DQUSFBZUMDLHON-MRTSDAHRSA-N. The full InChI is InChI=1S/C17H27N3O2.C2H6/c1-13(18-2)16(19(3)4)14-5-7-15(8-6-14)17(21)20-9-11-22-12-10-20;1-2/h5-8,13,16,18H,9-12H2,1-4H3;1-2H3/t13-,16?;/m0./s1.
What are the key properties of [4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane?
[4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane has a molecular weight of 335.49 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane is sourced from PubChem (CID 145029225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).