(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide

C15H24N2O — CID 61164093

IUPAC(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-5-11(2)14(16)15(18)17(4)12(3)13-9-7-6-8-10-13/h6-12,14H,5,16H2,1-4H3/t11-,12?,14-/m0/s1
InChIKeyAEXLTWSMMGOGQQ-PSIKVXPXSA-N
MW248.37 g/mol
LogP2.58
Rot. Bonds5

About (2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide

(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide (PubChem CID 61164093) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
PubChem CID61164093
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-5-11(2)14(16)15(18)17(4)12(3)13-9-7-6-8-10-13/h6-12,14H,5,16H2,1-4H3/t11-,12?,14-/m0/s1
InChIKeyAEXLTWSMMGOGQQ-PSIKVXPXSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
2-(aminomethyl)-N-methyl-N-(1-phenylethyl)pentanamide
CID 65230078
(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide
CID 61173173
methyl(1-phenylethyl)carbamic acid
CID 67062794
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide (CID 61164093) is (2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)C(C)c1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide?
The InChIKey is AEXLTWSMMGOGQQ-PSIKVXPXSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-11(2)14(16)15(18)17(4)12(3)13-9-7-6-8-10-13/h6-12,14H,5,16H2,1-4H3/t11-,12?,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide?
(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide is sourced from PubChem (CID 61164093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).