2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide

C14H23N3O — CID 79797795

IUPAC2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C14H23N3O/c1-6-14(3,15)13(18)16-12-8-7-11(17(4)5)9-10(12)2/h7-9H,6,15H2,1-5H3,(H,16,18)
InChIKeyJQOYYLJXEKAQKO-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.13
Rot. Bonds4

About 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide

2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide (PubChem CID 79797795) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide
PubChem CID79797795
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C14H23N3O/c1-6-14(3,15)13(18)16-12-8-7-11(17(4)5)9-10(12)2/h7-9H,6,15H2,1-5H3,(H,16,18)
InChIKeyJQOYYLJXEKAQKO-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
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

N-[4-(dimethylamino)-2-methylphenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833572
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 55122413
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228
2-amino-N-(4,5-dimethoxy-2-methylphenyl)-2-methylbutanamide
CID 79796473
2-amino-N-(5-fluoro-2-methylphenyl)-2-methylbutanamide
CID 79796953
2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
CID 131043496
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide
CID 79805209
1-N-(3-amino-3-methylbutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 112753835
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide (CID 79797795) is 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc(N(C)C)cc1C.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide?
The InChIKey is JQOYYLJXEKAQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-6-14(3,15)13(18)16-12-8-7-11(17(4)5)9-10(12)2/h7-9H,6,15H2,1-5H3,(H,16,18).
What are the key properties of 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide?
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide has a molecular weight of 249.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide is sourced from PubChem (CID 79797795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).