2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide

C17H34N4O3 — CID 22955432

IUPAC2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(N)C(C)C)C(C)C
InChIInChI=1S/C17H34N4O3/c1-9(2)8-12(15(22)19-7)20-17(24)14(11(5)6)21-16(23)13(18)10(3)4/h9-14H,8,18H2,1-7H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyBXXCFPCDMJGBGH-UHFFFAOYSA-N
MW342.48 g/mol
LogP0.39
Rot. Bonds9

About 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide

2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide (PubChem CID 22955432) has the molecular formula C17H34N4O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide
PubChem CID22955432
Molecular FormulaC17H34N4O3
Molecular Weight342.48 g/mol
Exact Mass342.26
IUPAC Name2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(N)C(C)C)C(C)C
InChIInChI=1S/C17H34N4O3/c1-9(2)8-12(15(22)19-7)20-17(24)14(11(5)6)21-16(23)13(18)10(3)4/h9-14H,8,18H2,1-7H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyBXXCFPCDMJGBGH-UHFFFAOYSA-N
XLogP0.39
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 175827087
2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18232414
(2S)-2-[[(2S)-2-[[(3R)-3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-2-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 102000532
2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18236933
2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid
CID 18232413
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18298736
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 18302149
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 145458126
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 46244176
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N,4-dimethylpentanamide
CID 23572345
2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18745087
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
CID 18298729

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide (CID 22955432) is 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(N)C(C)C)C(C)C.
What is the InChIKey of 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide?
The InChIKey is BXXCFPCDMJGBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3/c1-9(2)8-12(15(22)19-7)20-17(24)14(11(5)6)21-16(23)13(18)10(3)4/h9-14H,8,18H2,1-7H3,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide?
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide has a molecular weight of 342.48 g/mol, XLogP of 0.39, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide is sourced from PubChem (CID 22955432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).