N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride

C12H21ClN4O4 — CID 119668260

IUPACN-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CN1C(=O)C(=O)N(C)C1=O.Cl
InChIInChI=1S/C12H20N4O4.ClH/c1-3-4-5-8(6-13)14-9(17)7-16-11(19)10(18)15(2)12(16)20;/h8H,3-7,13H2,1-2H3,(H,14,17);1H
InChIKeySTOBAJVJCCXQOC-UHFFFAOYSA-N
MW320.78 g/mol
LogP-0.54
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride (PubChem CID 119668260) has the molecular formula C12H21ClN4O4 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride
PubChem CID119668260
Molecular FormulaC12H21ClN4O4
Molecular Weight320.78 g/mol
Exact Mass320.13
IUPAC NameN-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CN1C(=O)C(=O)N(C)C1=O.Cl
InChIInChI=1S/C12H20N4O4.ClH/c1-3-4-5-8(6-13)14-9(17)7-16-11(19)10(18)15(2)12(16)20;/h8H,3-7,13H2,1-2H3,(H,14,17);1H
InChIKeySTOBAJVJCCXQOC-UHFFFAOYSA-N
XLogP-0.54
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 119667628
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CID 119665683
2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119668001
N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119665475
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CID 119665033
N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide
CID 119666357
N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119668173
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
CID 119667683
N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119665105
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride (CID 119668260) is N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride is CCCCC(CN)NC(=O)CN1C(=O)C(=O)N(C)C1=O.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride?
The InChIKey is STOBAJVJCCXQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4.ClH/c1-3-4-5-8(6-13)14-9(17)7-16-11(19)10(18)15(2)12(16)20;/h8H,3-7,13H2,1-2H3,(H,14,17);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride has a molecular weight of 320.78 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119668260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).