3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide

C18H28N2O3 — CID 110882806

IUPAC3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(O)CN2CCOCC2)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-14-3-4-16(15(2)11-14)5-6-18(22)19-12-17(21)13-20-7-9-23-10-8-20/h3-4,11,17,21H,5-10,12-13H2,1-2H3,(H,19,22)
InChIKeyGDABXILOLSZLNW-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.05
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide

3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide (PubChem CID 110882806) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide
PubChem CID110882806
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(O)CN2CCOCC2)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-14-3-4-16(15(2)11-14)5-6-18(22)19-12-17(21)13-20-7-9-23-10-8-20/h3-4,11,17,21H,5-10,12-13H2,1-2H3,(H,19,22)
InChIKeyGDABXILOLSZLNW-UHFFFAOYSA-N
XLogP1.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide
CID 24649384
N-(2-hydroxy-3-morpholin-4-ylpropyl)pentanamide
CID 110887202
3-[(2,4-dimethylphenyl)methoxy]-5-[(2-hydroxy-3-morpholin-4-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxamide
CID 54140611
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
3-(2,4-dimethylphenyl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
CID 111695243
3-(2,4-dimethylphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 16613280
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 78866814
3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 110889436
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461043
N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 41452787
ethyl 2-[2-[[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 59375995

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide (CID 110882806) is 3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide is Cc1ccc(CCC(=O)NCC(O)CN2CCOCC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide?
The InChIKey is GDABXILOLSZLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14-3-4-16(15(2)11-14)5-6-18(22)19-12-17(21)13-20-7-9-23-10-8-20/h3-4,11,17,21H,5-10,12-13H2,1-2H3,(H,19,22).
What are the key properties of 3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide?
3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 110882806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).