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

C24H33N3O2 — CID 113178618

IUPAC2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C24H33N3O2/c1-16(2)21-9-8-10-22(17(3)4)24(21)27(18(5)28)15-23(29)25-19-11-13-20(14-12-19)26(6)7/h8-14,16-17H,15H2,1-7H3,(H,25,29)
InChIKeyDWCBVGKXLKLMAW-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.99
Rot. Bonds7

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

2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 113178618) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID113178618
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C24H33N3O2/c1-16(2)21-9-8-10-22(17(3)4)24(21)27(18(5)28)15-23(29)25-19-11-13-20(14-12-19)26(6)7/h8-14,16-17H,15H2,1-7H3,(H,25,29)
InChIKeyDWCBVGKXLKLMAW-UHFFFAOYSA-N
XLogP4.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide
CID 113178617
2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 113181515
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
CID 113178608
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113169714
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
CID 113178588
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
CID 113176766
2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
CID 113169682
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide (CID 113178618) is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is DWCBVGKXLKLMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-16(2)21-9-8-10-22(17(3)4)24(21)27(18(5)28)15-23(29)25-19-11-13-20(14-12-19)26(6)7/h8-14,16-17H,15H2,1-7H3,(H,25,29).
What are the key properties of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide?
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 113178618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).