(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide

C14H22N2O — CID 79011703

IUPAC(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)[C@H](N)C(C)C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-8(2)12(15)14(17)16-13-10(4)6-9(3)7-11(13)5/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1
InChIKeySVFJOHJSBRDASX-GFCCVEGCSA-N
MW234.34 g/mol
LogP2.53
Rot. Bonds3

About (2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide

(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 79011703) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID79011703
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)[C@H](N)C(C)C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-8(2)12(15)14(17)16-13-10(4)6-9(3)7-11(13)5/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1
InChIKeySVFJOHJSBRDASX-GFCCVEGCSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 76892574
2-cyano-N-(2,4,6-trimethylphenyl)propanamide
CID 55207019
(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
CID 94693681
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide
CID 28993455
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
2-amino-2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 115285827
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 61148022
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide (CID 79011703) is (2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(NC(=O)[C@H](N)C(C)C)c(C)c1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is SVFJOHJSBRDASX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O/c1-8(2)12(15)14(17)16-13-10(4)6-9(3)7-11(13)5/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide?
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 79011703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).