ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate

C8H17N3O4 — CID 108893697

IUPACethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCOC
InChIInChI=1S/C8H17N3O4/c1-3-15-8(13)10-5-4-9-7(12)11-6-14-2/h3-6H2,1-2H3,(H,10,13)(H2,9,11,12)
InChIKeyXGCMCMJHAOTZJH-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.36
Rot. Bonds6

About ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate

ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate (PubChem CID 108893697) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
PubChem CID108893697
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Nameethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCOC
InChIInChI=1S/C8H17N3O4/c1-3-15-8(13)10-5-4-9-7(12)11-6-14-2/h3-6H2,1-2H3,(H,10,13)(H2,9,11,12)
InChIKeyXGCMCMJHAOTZJH-UHFFFAOYSA-N
XLogP-0.36
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate
CID 108894606
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
1-ethoxy-3-(methoxymethyl)urea
CID 146345453
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-propylcarbamate
CID 12199
ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
CID 108893525
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
propyl N-(methoxymethyl)carbamate
CID 142704391
1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea
CID 108893604
ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
CID 97029196

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate (CID 108893697) is ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate is CCOC(=O)NCCNC(=O)NCOC.
What is the InChIKey of ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate?
The InChIKey is XGCMCMJHAOTZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4/c1-3-15-8(13)10-5-4-9-7(12)11-6-14-2/h3-6H2,1-2H3,(H,10,13)(H2,9,11,12).
What are the key properties of ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate?
ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate has a molecular weight of 219.24 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 108893697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).