N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide

C12H22N4O3 — CID 119408013

IUPACN-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)NCCCN)C1=O
InChIInChI=1S/C12H22N4O3/c1-3-12(4-2)10(18)16(11(19)15-12)8-9(17)14-7-5-6-13/h3-8,13H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyVMKTYNZRHUKKBM-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.44
Rot. Bonds7

About N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 119408013) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID119408013
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)NCCCN)C1=O
InChIInChI=1S/C12H22N4O3/c1-3-12(4-2)10(18)16(11(19)15-12)8-9(17)14-7-5-6-13/h3-8,13H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyVMKTYNZRHUKKBM-UHFFFAOYSA-N
XLogP-0.44
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119384721
N-[2-(4-aminophenyl)ethyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119549201
N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119405447
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 18775726
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107319254
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8946850
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119608170
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137
methyl 4-[[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]benzoate
CID 7181118
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 55589191
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione
CID 18776959

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 119408013) is N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCC1(CC)NC(=O)N(CC(=O)NCCCN)C1=O.
What is the InChIKey of N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is VMKTYNZRHUKKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-3-12(4-2)10(18)16(11(19)15-12)8-9(17)14-7-5-6-13/h3-8,13H2,1-2H3,(H,14,17)(H,15,19).
What are the key properties of N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 270.33 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 119408013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).