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

C23H31N3O3 — CID 110621112

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccc(N3CCOCC3)cc2)N(C)C)cc1
InChIInChI=1S/C23H31N3O3/c1-25(2)22(19-6-10-21(28-3)11-7-19)17-24-23(27)16-18-4-8-20(9-5-18)26-12-14-29-15-13-26/h4-11,22H,12-17H2,1-3H3,(H,24,27)
InChIKeyJULWJCKPGOJCPZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.49
Rot. Bonds8

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

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 110621112) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
PubChem CID110621112
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccc(N3CCOCC3)cc2)N(C)C)cc1
InChIInChI=1S/C23H31N3O3/c1-25(2)22(19-6-10-21(28-3)11-7-19)17-24-23(27)16-18-4-8-20(9-5-18)26-12-14-29-15-13-26/h4-11,22H,12-17H2,1-3H3,(H,24,27)
InChIKeyJULWJCKPGOJCPZ-UHFFFAOYSA-N
XLogP2.49
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110622168
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55630277
N-[2-(diethylamino)propyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110620370
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 112536125
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 43035568
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide (CID 110621112) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide is COc1ccc(C(CNC(=O)Cc2ccc(N3CCOCC3)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is JULWJCKPGOJCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-25(2)22(19-6-10-21(28-3)11-7-19)17-24-23(27)16-18-4-8-20(9-5-18)26-12-14-29-15-13-26/h4-11,22H,12-17H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 110621112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).