(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide

C15H25N3O — CID 79013489

IUPAC(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)14(16)15(19)18(5)10-12-6-8-13(9-7-12)17(3)4/h6-9,11,14H,10,16H2,1-5H3/t14-/m1/s1
InChIKeyGRALFOZJMNNENB-CQSZACIVSA-N
MW263.38 g/mol
LogP1.69
Rot. Bonds5

About (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide

(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide (PubChem CID 79013489) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
PubChem CID79013489
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)14(16)15(19)18(5)10-12-6-8-13(9-7-12)17(3)4/h6-9,11,14H,10,16H2,1-5H3/t14-/m1/s1
InChIKeyGRALFOZJMNNENB-CQSZACIVSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
CID 78801142
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide (CID 79013489) is (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide is CC(C)[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide?
The InChIKey is GRALFOZJMNNENB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)14(16)15(19)18(5)10-12-6-8-13(9-7-12)17(3)4/h6-9,11,14H,10,16H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide?
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 79013489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).