(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide

C16H25NO — CID 97019359

IUPAC(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
SMILESC[C@@H](CC(=O)NCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-13(16(2,3)4)12-15(18)17-11-10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyFZCRXPDCKILDMT-ZDUSSCGKSA-N
MW247.38 g/mol
LogP3.42
Rot. Bonds5

About (3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide

(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide (PubChem CID 97019359) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide.

Molecular Properties

Compound Name(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
PubChem CID97019359
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
SMILESC[C@@H](CC(=O)NCCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-13(16(2,3)4)12-15(18)17-11-10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyFZCRXPDCKILDMT-ZDUSSCGKSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
CID 86901199
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
(3S)-5-methyl-3-[2-oxo-2-(2-phenylethylamino)ethyl]hexanoic acid
CID 126509470
3,5,5-trimethyl-N-[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]hexanamide
CID 42703731
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(2R)-3,3-dimethyl-2-(2-phenylethylcarbamoylamino)butanoic acid
CID 103927529
2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid
CID 65263855
N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide
CID 63821825
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
CID 107861443
(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide
CID 92708028

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide?
The IUPAC name of (3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide (CID 97019359) is (3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide.
What is the SMILES notation for (3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide?
The canonical SMILES for (3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide is C[C@@H](CC(=O)NCCc1ccccc1)C(C)(C)C.
What is the InChIKey of (3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide?
The InChIKey is FZCRXPDCKILDMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(16(2,3)4)12-15(18)17-11-10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide?
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide has a molecular weight of 247.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide is sourced from PubChem (CID 97019359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).