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

C9H15N3O5 — CID 19708154

IUPACethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate
SMILESCCOC(=O)NOCCCC1NC(=O)NC1=O
InChIInChI=1S/C9H15N3O5/c1-2-16-9(15)12-17-5-3-4-6-7(13)11-8(14)10-6/h6H,2-5H2,1H3,(H,12,15)(H2,10,11,13,14)
InChIKeyJUXAGBWXWYCCFI-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.35
Rot. Bonds6

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

ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate (PubChem CID 19708154) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate
PubChem CID19708154
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Nameethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate
SMILESCCOC(=O)NOCCCC1NC(=O)NC1=O
InChIInChI=1S/C9H15N3O5/c1-2-16-9(15)12-17-5-3-4-6-7(13)11-8(14)10-6/h6H,2-5H2,1H3,(H,12,15)(H2,10,11,13,14)
InChIKeyJUXAGBWXWYCCFI-UHFFFAOYSA-N
XLogP-0.35
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4S)-1-methyl-2,5-dioxoimidazolidin-4-yl]propanoate
CID 59157725
Ethyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate
CID 14678130
Ethyl [2-(2,5-dioxoimidazolidin-4-yl)ethoxy]carbamate
CID 24972922
methyl 3-[(4S)-1-hydroxy-2,5-dioxoimidazolidin-4-yl]propanoate
CID 50906090
5-(3-Methoxypropyl)-3-propan-2-ylimidazolidine-2,4-dione
CID 81081207
3-Butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
CID 81081593
5-(3-Methoxypropyl)imidazolidine-2,4-dione
CID 81081595
3-Ethyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
CID 81081691
5-(3-Methoxypropyl)-3-propylimidazolidine-2,4-dione
CID 81082274
5-(3-Methoxypropyl)-3-methylimidazolidine-2,4-dione
CID 81906692
Methyl 3-(2,5-dioxoimidazolidin-4-yl)propanoate
CID 86116604
5-(3,3-Dimethoxypropyl)imidazolidine-2,4-dione
CID 110191443

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate?
The IUPAC name of ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate (CID 19708154) is ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate.
What is the SMILES notation for ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate?
The canonical SMILES for ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate is CCOC(=O)NOCCCC1NC(=O)NC1=O.
What is the InChIKey of ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate?
The InChIKey is JUXAGBWXWYCCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c1-2-16-9(15)12-17-5-3-4-6-7(13)11-8(14)10-6/h6H,2-5H2,1H3,(H,12,15)(H2,10,11,13,14).
What are the key properties of ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate?
ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate has a molecular weight of 245.23 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(2,5-dioxoimidazolidin-4-yl)propoxy]carbamate is sourced from PubChem (CID 19708154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).