N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide

C14H23N3O — CID 55122413

IUPACN-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C14H23N3O/c1-10-9-11(17(5)6)7-8-12(10)16-13(18)14(2,3)15-4/h7-9,15H,1-6H3,(H,16,18)
InChIKeyVZTIJROHBCCHSI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.00
Rot. Bonds4

About N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide

N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 55122413) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide
PubChem CID55122413
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C14H23N3O/c1-10-9-11(17(5)6)7-8-12(10)16-13(18)14(2,3)15-4/h7-9,15H,1-6H3,(H,16,18)
InChIKeyVZTIJROHBCCHSI-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 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 ≤ 52.00
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-(dimethylamino)-2-methylphenyl]-2-methylbutanamide
CID 79797795
N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836927
3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 62845966
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996
N-ethyl-3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzamide
CID 62848154
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228
N-[3-(dimethylamino)-4-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 115377382
N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
CID 47308010
N-(2-fluoro-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835057
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 43700591
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 61156017

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide (CID 55122413) is N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1ccc(N(C)C)cc1C.
What is the InChIKey of N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is VZTIJROHBCCHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-9-11(17(5)6)7-8-12(10)16-13(18)14(2,3)15-4/h7-9,15H,1-6H3,(H,16,18).
What are the key properties of N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide?
N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 249.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 55122413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).