N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide

C20H32N2O3 — CID 111912473

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide
SMILESCc1ccc(C(C)(C)CC(=O)N(C)CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C20H32N2O3/c1-16-5-7-17(8-6-16)20(2,3)13-19(24)21(4)14-18(23)15-22-9-11-25-12-10-22/h5-8,18,23H,9-15H2,1-4H3
InChIKeyQFPUKRUCIPPFPP-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.81
Rot. Bonds7

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide

N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide (PubChem CID 111912473) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide
PubChem CID111912473
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide
SMILESCc1ccc(C(C)(C)CC(=O)N(C)CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C20H32N2O3/c1-16-5-7-17(8-6-16)20(2,3)13-19(24)21(4)14-18(23)15-22-9-11-25-12-10-22/h5-8,18,23H,9-15H2,1-4H3
InChIKeyQFPUKRUCIPPFPP-UHFFFAOYSA-N
XLogP1.81
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide
CID 111695353
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3,4,4-tetramethylpentanamide
CID 111912430
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide
CID 111912435
3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide
CID 111912448
2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide
CID 111912368
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4,6-trimethyl-1H-indole-2-carboxamide
CID 111912425
2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide
CID 111912534
3-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbutanamide
CID 111912372
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea
CID 95974569
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide (CID 111912473) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide is Cc1ccc(C(C)(C)CC(=O)N(C)CC(O)CN2CCOCC2)cc1.
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide?
The InChIKey is QFPUKRUCIPPFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-16-5-7-17(8-6-16)20(2,3)13-19(24)21(4)14-18(23)15-22-9-11-25-12-10-22/h5-8,18,23H,9-15H2,1-4H3.
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide has a molecular weight of 348.49 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide is sourced from PubChem (CID 111912473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).