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

C17H28N2O — CID 103832792

IUPAC(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-13(2)12-15(18)16(20)19-17(3,4)11-10-14-8-6-5-7-9-14/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyNIXWEEMWGQKPNZ-HNNXBMFYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds7

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

(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide (PubChem CID 103832792) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
PubChem CID103832792
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-13(2)12-15(18)16(20)19-17(3,4)11-10-14-8-6-5-7-9-14/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyNIXWEEMWGQKPNZ-HNNXBMFYSA-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

2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039
(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104909056
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
(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
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 62049630
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide (CID 103832792) is (2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide is CC(C)C[C@H](N)C(=O)NC(C)(C)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The InChIKey is NIXWEEMWGQKPNZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)12-15(18)16(20)19-17(3,4)11-10-14-8-6-5-7-9-14/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
(2S)-2-amino-4-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 (2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide is sourced from PubChem (CID 103832792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).