ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate

C9H16N4O4 — CID 19708160

IUPACethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate
SMILESCCOC(=O)N(N)CCCC1NC(=O)NC1=O
InChIInChI=1S/C9H16N4O4/c1-2-17-9(16)13(10)5-3-4-6-7(14)12-8(15)11-6/h6H,2-5,10H2,1H3,(H2,11,12,14,15)
InChIKeyWJHKZAKSXZEBQV-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.69
Rot. Bonds5

About ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate

ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate (PubChem CID 19708160) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate.

Molecular Properties

Compound Nameethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate
PubChem CID19708160
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Nameethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate
SMILESCCOC(=O)N(N)CCCC1NC(=O)NC1=O
InChIInChI=1S/C9H16N4O4/c1-2-17-9(16)13(10)5-3-4-6-7(14)12-8(15)11-6/h6H,2-5,10H2,1H3,(H2,11,12,14,15)
InChIKeyWJHKZAKSXZEBQV-UHFFFAOYSA-N
XLogP-0.69
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate
CID 19708140
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
5-propylimidazolidine-2,4-dione
CID 567619
(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
CID 7000133
N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide
CID 99868106
ethyl 4-butyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 11128419
ethyl (4R)-4-heptyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92905967
ethyl 6-methyl-4-octyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102498027
ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98131682
5-(4-bromobutyl)imidazolidine-2,4-dione
CID 567967
methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate
CID 137467945
ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate
CID 70510315

Frequently Asked Questions

What is the IUPAC name of ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate?
The IUPAC name of ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate (CID 19708160) is ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate.
What is the SMILES notation for ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate?
The canonical SMILES for ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate is CCOC(=O)N(N)CCCC1NC(=O)NC1=O.
What is the InChIKey of ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate?
The InChIKey is WJHKZAKSXZEBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4/c1-2-17-9(16)13(10)5-3-4-6-7(14)12-8(15)11-6/h6H,2-5,10H2,1H3,(H2,11,12,14,15).
What are the key properties of ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate?
ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate has a molecular weight of 244.25 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate is sourced from PubChem (CID 19708160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).