(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide

C15H24N2O — CID 78996657

IUPAC(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
SMILESCC(C)C(C)CNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-11(2)12(3)10-17-15(18)14(16)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,16H2,1-3H3,(H,17,18)/t12?,14-/m1/s1
InChIKeyNUGAUQDJNUCREP-TYZXPVIJSA-N
MW248.37 g/mol
LogP1.96
Rot. Bonds6

About (2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide

(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide (PubChem CID 78996657) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
PubChem CID78996657
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
SMILESCC(C)C(C)CNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-11(2)12(3)10-17-15(18)14(16)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,16H2,1-3H3,(H,17,18)/t12?,14-/m1/s1
InChIKeyNUGAUQDJNUCREP-TYZXPVIJSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide
CID 61274682

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide (CID 78996657) is (2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide is CC(C)C(C)CNC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide?
The InChIKey is NUGAUQDJNUCREP-TYZXPVIJSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)12(3)10-17-15(18)14(16)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,16H2,1-3H3,(H,17,18)/t12?,14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide?
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide is sourced from PubChem (CID 78996657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).