N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide

C21H42N4O4 — CID 177174947

IUPACN-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide
SMILESCCCC(NC(=O)CCCCCCCCCO)C(=O)NC(CCCCN)C(N)=O
InChIInChI=1S/C21H42N4O4/c1-2-12-18(21(29)25-17(20(23)28)13-9-10-15-22)24-19(27)14-8-6-4-3-5-7-11-16-26/h17-18,26H,2-16,22H2,1H3,(H2,23,28)(H,24,27)(H,25,29)
InChIKeyUXSBRTBZOQFKCN-UHFFFAOYSA-N
MW414.59 g/mol
LogP1.48
Rot. Bonds19

About N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide

N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide (PubChem CID 177174947) has the molecular formula C21H42N4O4 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide.

Molecular Properties

Compound NameN-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide
PubChem CID177174947
Molecular FormulaC21H42N4O4
Molecular Weight414.59 g/mol
Exact Mass414.32
IUPAC NameN-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide
SMILESCCCC(NC(=O)CCCCCCCCCO)C(=O)NC(CCCCN)C(N)=O
InChIInChI=1S/C21H42N4O4/c1-2-12-18(21(29)25-17(20(23)28)13-9-10-15-22)24-19(27)14-8-6-4-3-5-7-11-16-26/h17-18,26H,2-16,22H2,1H3,(H2,23,28)(H,24,27)(H,25,29)
InChIKeyUXSBRTBZOQFKCN-UHFFFAOYSA-N
XLogP1.48
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 51.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide with MolForge

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Related Compounds

N-[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]tetradecanamide
CID 102528049
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
(4S)-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-(hexadecanoylamino)-5-oxopentanoic acid
CID 46865227
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
N-[3-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-(decanoylamino)-3-oxopropyl]decanamide
CID 155518067
N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 46865330
N-[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 53325952
2-[[6-(5-aminopentanoylamino)-2-(hexanoylamino)hexanoyl]amino]-6-(pentanoylamino)hexanamide
CID 144955525
12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 25144019
8-amino-N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[(1,6-diamino-1-oxohexan-2-yl)amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]octanamide
CID 71591729

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide?
The IUPAC name of N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide (CID 177174947) is N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide.
What is the SMILES notation for N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide?
The canonical SMILES for N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide is CCCC(NC(=O)CCCCCCCCCO)C(=O)NC(CCCCN)C(N)=O.
What is the InChIKey of N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide?
The InChIKey is UXSBRTBZOQFKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O4/c1-2-12-18(21(29)25-17(20(23)28)13-9-10-15-22)24-19(27)14-8-6-4-3-5-7-11-16-26/h17-18,26H,2-16,22H2,1H3,(H2,23,28)(H,24,27)(H,25,29).
What are the key properties of N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide?
N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide has a molecular weight of 414.59 g/mol, XLogP of 1.48, 19 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide is sourced from PubChem (CID 177174947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).