N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide

C16H26N2O — CID 86901166

IUPACN-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(N(C)C)cc1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(16(2,3)4)11-15(19)17-13-7-9-14(10-8-13)18(5)6/h7-10,12H,11H2,1-6H3,(H,17,19)
InChIKeyIMHVISHPRUQQGZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.76
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide

N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide (PubChem CID 86901166) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
PubChem CID86901166
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(N(C)C)cc1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(16(2,3)4)11-15(19)17-13-7-9-14(10-8-13)18(5)6/h7-10,12H,11H2,1-6H3,(H,17,19)
InChIKeyIMHVISHPRUQQGZ-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43616937
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605077
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
4-[4-(dimethylamino)anilino]-2-(dimethylazaniumyl)-4-oxobutanoate
CID 6914887
N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide
CID 103789664
N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide
CID 106910594
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
N-(3-amino-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63834446
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide (CID 86901166) is N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide is CC(CC(=O)Nc1ccc(N(C)C)cc1)C(C)(C)C.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide?
The InChIKey is IMHVISHPRUQQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(16(2,3)4)11-15(19)17-13-7-9-14(10-8-13)18(5)6/h7-10,12H,11H2,1-6H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide?
N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 86901166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).