(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide

C12H18N2O — CID 168863362

IUPAC(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide
SMILESCc1ccc(C[C@@H](N)CC(N)=O)c(C)c1
InChIInChI=1S/C12H18N2O/c1-8-3-4-10(9(2)5-8)6-11(13)7-12(14)15/h3-5,11H,6-7,13H2,1-2H3,(H2,14,15)/t11-/m1/s1
InChIKeyYHENJIWIQDTUSR-LLVKDONJSA-N
MW206.29 g/mol
LogP1.05
Rot. Bonds4

About (3R)-3-amino-4-(2,4-dimethylphenyl)butanamide

(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide (PubChem CID 168863362) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3R)-3-amino-4-(2,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide
PubChem CID168863362
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide
SMILESCc1ccc(C[C@@H](N)CC(N)=O)c(C)c1
InChIInChI=1S/C12H18N2O/c1-8-3-4-10(9(2)5-8)6-11(13)7-12(14)15/h3-5,11H,6-7,13H2,1-2H3,(H2,14,15)/t11-/m1/s1
InChIKeyYHENJIWIQDTUSR-LLVKDONJSA-N
XLogP1.05
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
CID 131885660
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
(3S)-4-(2,4-dimethylphenyl)butane-1,3-diamine
CID 162376806
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
3-amino-4-(2,5-dimethylphenyl)butanoic acid
CID 82351078
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
3-[(2,4-dimethylphenyl)methylamino]butanamide
CID 115676436
(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
3-(2,4-dimethylphenyl)-2-fluoropropanoic acid
CID 81357864
2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116849913
3-amino-4-(4-methoxy-2-methylphenyl)butanoic acid
CID 82351098

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2,4-dimethylphenyl)butanamide?
The IUPAC name of (3R)-3-amino-4-(2,4-dimethylphenyl)butanamide (CID 168863362) is (3R)-3-amino-4-(2,4-dimethylphenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-4-(2,4-dimethylphenyl)butanamide?
The canonical SMILES for (3R)-3-amino-4-(2,4-dimethylphenyl)butanamide is Cc1ccc(C[C@@H](N)CC(N)=O)c(C)c1.
What is the InChIKey of (3R)-3-amino-4-(2,4-dimethylphenyl)butanamide?
The InChIKey is YHENJIWIQDTUSR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-3-4-10(9(2)5-8)6-11(13)7-12(14)15/h3-5,11H,6-7,13H2,1-2H3,(H2,14,15)/t11-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2,4-dimethylphenyl)butanamide?
(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide has a molecular weight of 206.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2,4-dimethylphenyl)butanamide is sourced from PubChem (CID 168863362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).