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

C16H26N2O — CID 115734086

IUPAC2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
SMILESCCCC(N)C(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-8-14(17)15(19)18-16(2,3)12-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,8,11-12,17H2,1-3H3,(H,18,19)
InChIKeyWUNKPPFUIVCCKF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds7

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

2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide (PubChem CID 115734086) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
PubChem CID115734086
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
SMILESCCCC(N)C(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-8-14(17)15(19)18-16(2,3)12-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,8,11-12,17H2,1-3H3,(H,18,19)
InChIKeyWUNKPPFUIVCCKF-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104909056
(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
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869
methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate
CID 114926078
(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984859
(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The IUPAC name of 2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide (CID 115734086) is 2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide.
What is the SMILES notation for 2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The canonical SMILES for 2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide is CCCC(N)C(=O)NC(C)(C)CCc1ccccc1.
What is the InChIKey of 2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The InChIKey is WUNKPPFUIVCCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-8-14(17)15(19)18-16(2,3)12-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,8,11-12,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide is sourced from PubChem (CID 115734086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).