(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide

C15H24N2O — CID 93398886

IUPAC(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-8-13(16)14(18)17-11-15(2,3)12-9-6-5-7-10-12/h5-7,9-10,13H,4,8,11,16H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyWUTKTGRCQHITDM-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.21
Rot. Bonds6

About (2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide

(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide (PubChem CID 93398886) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
PubChem CID93398886
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-8-13(16)14(18)17-11-15(2,3)12-9-6-5-7-10-12/h5-7,9-10,13H,4,8,11,16H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyWUTKTGRCQHITDM-ZDUSSCGKSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
2-amino-N-benzylpentanamide
CID 11020044
2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]pentanamide;hydrochloride
CID 119309892
3-amino-N-(2-methyl-2-phenylpropyl)-2-phenylpropanamide;hydrochloride
CID 119724299
2-amino-N-[2-(4-bromophenyl)-2-methylpropyl]-2-phenylacetamide
CID 119295146
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 119330600
2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
CID 119325016
(2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119308133

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide (CID 93398886) is (2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide is CCC[C@H](N)C(=O)NCC(C)(C)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide?
The InChIKey is WUTKTGRCQHITDM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-8-13(16)14(18)17-11-15(2,3)12-9-6-5-7-10-12/h5-7,9-10,13H,4,8,11,16H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide?
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide is sourced from PubChem (CID 93398886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).