2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide

C17H28N2O — CID 115753423

IUPAC2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
SMILESCCC(C)C(N)C(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-13(2)15(18)16(20)19-17(3,4)12-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12,18H2,1-4H3,(H,19,20)
InChIKeyQZKJZTCOSABJHV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds7

About 2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide

2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide (PubChem CID 115753423) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
PubChem CID115753423
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
SMILESCCC(C)C(N)C(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-13(2)15(18)16(20)19-17(3,4)12-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12,18H2,1-4H3,(H,19,20)
InChIKeyQZKJZTCOSABJHV-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984857
4-[[(2S)-2-amino-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 104984300
(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104909056
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide
CID 61173516
2-amino-3-methyl-N-phenylmethoxypentanamide
CID 64974779
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
3-methylpentan-3-yl (2S)-2-amino-4-phenylbutanoate
CID 67623648

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide (CID 115753423) is 2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide is CCC(C)C(N)C(=O)NC(C)(C)CCc1ccccc1.
What is the InChIKey of 2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The InChIKey is QZKJZTCOSABJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-13(2)15(18)16(20)19-17(3,4)12-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11-12,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide has a molecular weight of 276.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide is sourced from PubChem (CID 115753423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).