N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide

C21H26N2O3 — CID 112536125

IUPACN-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-2-4-17(5-3-16)14-21(25)22-15-20(24)18-6-8-19(9-7-18)23-10-12-26-13-11-23/h2-9,20,24H,10-15H2,1H3,(H,22,25)
InChIKeyDHBQELWSLQLDTN-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.22
Rot. Bonds6

About N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide

N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 112536125) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID112536125
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-2-4-17(5-3-16)14-21(25)22-15-20(24)18-6-8-19(9-7-18)23-10-12-26-13-11-23/h2-9,20,24H,10-15H2,1H3,(H,22,25)
InChIKeyDHBQELWSLQLDTN-UHFFFAOYSA-N
XLogP2.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110622168
N-[2-(diethylamino)propyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110620370
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110621112
2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712382
N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 112536155
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide (CID 112536125) is N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC(O)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is DHBQELWSLQLDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-2-4-17(5-3-16)14-21(25)22-15-20(24)18-6-8-19(9-7-18)23-10-12-26-13-11-23/h2-9,20,24H,10-15H2,1H3,(H,22,25).
What are the key properties of N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide?
N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 112536125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).