2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C23H33N3O — CID 19874958

IUPAC2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C23H33N3O/c1-16(2)20-8-7-9-21(17(3)4)23(20)25-22(27)15-24-14-18-10-12-19(13-11-18)26(5)6/h7-13,16-17,24H,14-15H2,1-6H3,(H,25,27)
InChIKeyOWFSXIMOWHMZNU-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.73
Rot. Bonds8

About 2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 19874958) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID19874958
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C23H33N3O/c1-16(2)20-8-7-9-21(17(3)4)23(20)25-22(27)15-24-14-18-10-12-19(13-11-18)26(5)6/h7-13,16-17,24H,14-15H2,1-6H3,(H,25,27)
InChIKeyOWFSXIMOWHMZNU-UHFFFAOYSA-N
XLogP4.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997808
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021297
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid
CID 15945258
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 49381870
2-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022544
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119671524
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108894700
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113000660
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 19874958) is 2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CNCc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is OWFSXIMOWHMZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-16(2)20-8-7-9-21(17(3)4)23(20)25-22(27)15-24-14-18-10-12-19(13-11-18)26(5)6/h7-13,16-17,24H,14-15H2,1-6H3,(H,25,27).
What are the key properties of 2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 367.54 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 19874958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).