2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide

C22H43N5O4 — CID 91405705

IUPAC2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide
SMILESCCCCCCCCC(NC(=O)CNC(=O)C(C)CCN)C(=O)NC(CCN)C(C)=O
InChIInChI=1S/C22H43N5O4/c1-4-5-6-7-8-9-10-19(22(31)27-18(12-14-24)17(3)28)26-20(29)15-25-21(30)16(2)11-13-23/h16,18-19H,4-15,23-24H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyXJKCBAMHLIQSBR-UHFFFAOYSA-N
MW441.62 g/mol
LogP0.75
Rot. Bonds18

About 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide

2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide (PubChem CID 91405705) has the molecular formula C22H43N5O4 and a molecular weight of 441.62 g/mol. Its IUPAC name is 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide.

Molecular Properties

Compound Name2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide
PubChem CID91405705
Molecular FormulaC22H43N5O4
Molecular Weight441.62 g/mol
Exact Mass441.33
IUPAC Name2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide
SMILESCCCCCCCCC(NC(=O)CNC(=O)C(C)CCN)C(=O)NC(CCN)C(C)=O
InChIInChI=1S/C22H43N5O4/c1-4-5-6-7-8-9-10-19(22(31)27-18(12-14-24)17(3)28)26-20(29)15-25-21(30)16(2)11-13-23/h16,18-19H,4-15,23-24H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyXJKCBAMHLIQSBR-UHFFFAOYSA-N
XLogP0.75
TPSA156.41 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 50.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide with MolForge

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Related Compounds

N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide
CID 163742124
N-(7-amino-2-oxoheptan-3-yl)-6-(5-aminopentanoylamino)-2-(hexanoylamino)hexanamide
CID 144955370
N-[1-(2-aminoethylamino)-1-oxohexan-2-yl]-2-(octanoylamino)octanamide
CID 90159636
N-[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]tetradecanamide
CID 102528049
3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide
CID 167133850
2-amino-N-[2-oxo-2-[(3-oxo-1-sulfanylbutan-2-yl)amino]ethyl]heptanamide
CID 22895166
2,6-bis(hexanoylamino)-N-[7-(hexylamino)-2-oxoheptan-3-yl]hexanamide
CID 118183467
N-[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]decanamide
CID 73212204
N-[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]hexadecanamide
CID 73212161
N-[6-amino-1-[[6-amino-1-[[8-[[6-amino-1-[[6-amino-1-[[8-[(1,6-diamino-1-oxohexan-2-yl)amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]dodecanamide
CID 71591923
N-[6-amino-1-[[6-amino-1-[[10-[[6-amino-1-[[6-amino-1-[[10-[(1,6-diamino-1-oxohexan-2-yl)amino]-10-oxodecyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-10-oxodecyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]dodecanamide
CID 71591895
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide?
The IUPAC name of 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide (CID 91405705) is 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide.
What is the SMILES notation for 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide?
The canonical SMILES for 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide is CCCCCCCCC(NC(=O)CNC(=O)C(C)CCN)C(=O)NC(CCN)C(C)=O.
What is the InChIKey of 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide?
The InChIKey is XJKCBAMHLIQSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N5O4/c1-4-5-6-7-8-9-10-19(22(31)27-18(12-14-24)17(3)28)26-20(29)15-25-21(30)16(2)11-13-23/h16,18-19H,4-15,23-24H2,1-3H3,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide?
2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide has a molecular weight of 441.62 g/mol, XLogP of 0.75, 18 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide is sourced from PubChem (CID 91405705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).