N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide

C19H30N2O3 — CID 110012777

IUPACN-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC(c2ccccc2)C(C)(C)CO)C(C)CO1
InChIInChI=1S/C19H30N2O3/c1-14-12-24-15(2)11-21(14)18(23)20-10-17(19(3,4)13-22)16-8-6-5-7-9-16/h5-9,14-15,17,22H,10-13H2,1-4H3,(H,20,23)
InChIKeyJKSOHFHABJATRG-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.61
Rot. Bonds5

About N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide

N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide (PubChem CID 110012777) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide
PubChem CID110012777
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC(c2ccccc2)C(C)(C)CO)C(C)CO1
InChIInChI=1S/C19H30N2O3/c1-14-12-24-15(2)11-21(14)18(23)20-10-17(19(3,4)13-22)16-8-6-5-7-9-16/h5-9,14-15,17,22H,10-13H2,1-4H3,(H,20,23)
InChIKeyJKSOHFHABJATRG-UHFFFAOYSA-N
XLogP2.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82687889
(2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 97315919
1-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122007416
(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838466
2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61266346
ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate
CID 106677030
1-(2,5-dimethylmorpholin-4-yl)-2-(2-fluorophenoxy)ethanone
CID 110727665
1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
CID 110727667
2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide
CID 97067577
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 102560447
(2S,5R)-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboxamide
CID 99823277
5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 61201292

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide (CID 110012777) is N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)NCC(c2ccccc2)C(C)(C)CO)C(C)CO1.
What is the InChIKey of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide?
The InChIKey is JKSOHFHABJATRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-12-24-15(2)11-21(14)18(23)20-10-17(19(3,4)13-22)16-8-6-5-7-9-16/h5-9,14-15,17,22H,10-13H2,1-4H3,(H,20,23).
What are the key properties of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide?
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 110012777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).