2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C24H32N4O3 — CID 27200195

IUPAC2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H32N4O3/c1-4-27(17-23(30)26-24-18(2)6-5-7-19(24)3)16-22(29)25-20-8-10-21(11-9-20)28-12-14-31-15-13-28/h5-11H,4,12-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyKBTHWOKSDUSHRW-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.04
Rot. Bonds8

About 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 27200195) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID27200195
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H32N4O3/c1-4-27(17-23(30)26-24-18(2)6-5-7-19(24)3)16-22(29)25-20-8-10-21(11-9-20)28-12-14-31-15-13-28/h5-11H,4,12-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyKBTHWOKSDUSHRW-UHFFFAOYSA-N
XLogP3.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592918
2-[ethyl(naphthalen-1-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55356704
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354484
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[ethyl-[(E)-3-phenylprop-2-enyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 78789952
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
N-ethyl-3,7-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 60567089
CID 89442401
CID 89442401
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 27200195) is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is KBTHWOKSDUSHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-27(17-23(30)26-24-18(2)6-5-7-19(24)3)16-22(29)25-20-8-10-21(11-9-20)28-12-14-31-15-13-28/h5-11H,4,12-17H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 424.55 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 27200195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).