2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide

C16H30N4O4 — CID 23276427

IUPAC2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)C(NC(=O)C(C)NC(C)=O)C(C)C)C(N)=O
InChIInChI=1S/C16H30N4O4/c1-7-9(4)13(14(17)22)20-16(24)12(8(2)3)19-15(23)10(5)18-11(6)21/h8-10,12-13H,7H2,1-6H3,(H2,17,22)(H,18,21)(H,19,23)(H,20,24)
InChIKeySMZRFAJRXYPQLV-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.33
Rot. Bonds9

About 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide

2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide (PubChem CID 23276427) has the molecular formula C16H30N4O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide
PubChem CID23276427
Molecular FormulaC16H30N4O4
Molecular Weight342.44 g/mol
Exact Mass342.23
IUPAC Name2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)C(NC(=O)C(C)NC(C)=O)C(C)C)C(N)=O
InChIInChI=1S/C16H30N4O4/c1-7-9(4)13(14(17)22)20-16(24)12(8(2)3)19-15(23)10(5)18-11(6)21/h8-10,12-13H,7H2,1-6H3,(H2,17,22)(H,18,21)(H,19,23)(H,20,24)
InChIKeySMZRFAJRXYPQLV-UHFFFAOYSA-N
XLogP-0.33
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide with MolForge

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Related Compounds

(2S,3S)-2-acetamido-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-3-methylpentanamide
CID 101137791
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
CID 19431410
(2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide
CID 71558799
(2S,3S)-2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61137926
2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 43171197
ethyl (2R)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-methylbutanoate
CID 175974322
methyl (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoate
CID 134738209
[2-[[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid
CID 21156605
2-acetamido-N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide
CID 156533775
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide (CID 23276427) is 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide is CCC(C)C(NC(=O)C(NC(=O)C(C)NC(C)=O)C(C)C)C(N)=O.
What is the InChIKey of 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide?
The InChIKey is SMZRFAJRXYPQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4/c1-7-9(4)13(14(17)22)20-16(24)12(8(2)3)19-15(23)10(5)18-11(6)21/h8-10,12-13H,7H2,1-6H3,(H2,17,22)(H,18,21)(H,19,23)(H,20,24).
What are the key properties of 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide?
2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide has a molecular weight of 342.44 g/mol, XLogP of -0.33, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide is sourced from PubChem (CID 23276427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).