ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate

C10H19N3O4 — CID 108887945

IUPACethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NC1CCCO1
InChIInChI=1S/C10H19N3O4/c1-2-16-10(15)12-6-5-11-9(14)13-8-4-3-7-17-8/h8H,2-7H2,1H3,(H,12,15)(H2,11,13,14)
InChIKeyBSEFKIRQXJDBKM-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.17
Rot. Bonds5

About ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate

ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate (PubChem CID 108887945) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate
PubChem CID108887945
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Nameethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NC1CCCO1
InChIInChI=1S/C10H19N3O4/c1-2-16-10(15)12-6-5-11-9(14)13-8-4-3-7-17-8/h8H,2-7H2,1H3,(H,12,15)(H2,11,13,14)
InChIKeyBSEFKIRQXJDBKM-UHFFFAOYSA-N
XLogP0.17
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-3-(oxolan-2-yl)urea
CID 117234856
ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate
CID 115889525
ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate
CID 110706653
1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 110706626
ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113066185
1-[2-(4-bromophenyl)ethyl]-3-(oxolan-2-yl)urea
CID 108887929
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea
CID 110706680
ethyl N-[2-[[(Z)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]amino]ethyl]carbamate
CID 108839492
ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
CID 108893697
1-cyclododecyl-3-(oxolan-2-yl)urea
CID 108887824
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate (CID 108887945) is ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate is CCOC(=O)NCCNC(=O)NC1CCCO1.
What is the InChIKey of ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate?
The InChIKey is BSEFKIRQXJDBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-2-16-10(15)12-6-5-11-9(14)13-8-4-3-7-17-8/h8H,2-7H2,1H3,(H,12,15)(H2,11,13,14).
What are the key properties of ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate?
ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate has a molecular weight of 245.28 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 108887945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).