(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide

C14H22N2O — CID 79012795

IUPAC(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)13(15)14(17)16(3)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3/t13-/m1/s1
InChIKeyPVJDMFFBMBKWBP-CYBMUJFWSA-N
MW234.34 g/mol
LogP1.67
Rot. Bonds5

About (2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide

(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide (PubChem CID 79012795) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
PubChem CID79012795
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)13(15)14(17)16(3)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3/t13-/m1/s1
InChIKeyPVJDMFFBMBKWBP-CYBMUJFWSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
2-[2-[(2-amino-3-methylbutanoyl)-methylamino]ethyl]benzoic acid
CID 104548293
N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide
CID 107031339
2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 65487463
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide?
The IUPAC name of (2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide (CID 79012795) is (2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for (2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide is CC(C)[C@@H](N)C(=O)N(C)CCc1ccccc1.
What is the InChIKey of (2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide?
The InChIKey is PVJDMFFBMBKWBP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)13(15)14(17)16(3)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide?
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 79012795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).