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

C23H31N3O2 — CID 110622168

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(C(CNC(=O)Cc2ccc(N3CCOCC3)cc2)N(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-18-4-8-20(9-5-18)22(25(2)3)17-24-23(27)16-19-6-10-21(11-7-19)26-12-14-28-15-13-26/h4-11,22H,12-17H2,1-3H3,(H,24,27)
InChIKeyDSSBYDRCCCSIOF-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.79
Rot. Bonds7

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

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 110622168) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
PubChem CID110622168
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(C(CNC(=O)Cc2ccc(N3CCOCC3)cc2)N(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-18-4-8-20(9-5-18)22(25(2)3)17-24-23(27)16-19-6-10-21(11-7-19)26-12-14-28-15-13-26/h4-11,22H,12-17H2,1-3H3,(H,24,27)
InChIKeyDSSBYDRCCCSIOF-UHFFFAOYSA-N
XLogP2.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110621112
N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 112536125
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
2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712382
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125154955
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
N-[2-(diethylamino)-2-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 112504225
3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one
CID 66716078
N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 51096084
(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 146309814
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide (CID 110622168) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc(C(CNC(=O)Cc2ccc(N3CCOCC3)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DSSBYDRCCCSIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18-4-8-20(9-5-18)22(25(2)3)17-24-23(27)16-19-6-10-21(11-7-19)26-12-14-28-15-13-26/h4-11,22H,12-17H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 110622168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).