3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide

C13H21N3O — CID 64685391

IUPAC3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
SMILESCN(C)c1ccc(NC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C13H21N3O/c1-13(2,14)9-12(17)15-10-5-7-11(8-6-10)16(3)4/h5-8H,9,14H2,1-4H3,(H,15,17)
InChIKeyQSUJNYILWVGNJP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide

3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide (PubChem CID 64685391) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
PubChem CID64685391
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
SMILESCN(C)c1ccc(NC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C13H21N3O/c1-13(2,14)9-12(17)15-10-5-7-11(8-6-10)16(3)4/h5-8H,9,14H2,1-4H3,(H,15,17)
InChIKeyQSUJNYILWVGNJP-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.82
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

4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43616937
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934
N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605077
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
CID 86901166
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 64684848
3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
CID 115154849
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide (CID 64685391) is 3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide is CN(C)c1ccc(NC(=O)CC(C)(C)N)cc1.
What is the InChIKey of 3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide?
The InChIKey is QSUJNYILWVGNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,14)9-12(17)15-10-5-7-11(8-6-10)16(3)4/h5-8H,9,14H2,1-4H3,(H,15,17).
What are the key properties of 3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide?
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide is sourced from PubChem (CID 64685391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).