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

C10H21N3O5 — CID 108894606

IUPACethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCOCCOC
InChIInChI=1S/C10H21N3O5/c1-3-18-10(15)12-5-4-11-9(14)13-8-17-7-6-16-2/h3-8H2,1-2H3,(H,12,15)(H2,11,13,14)
InChIKeyQFMRCWZTVAKHHN-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.35
Rot. Bonds9

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

ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate (PubChem CID 108894606) has the molecular formula C10H21N3O5 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate
PubChem CID108894606
Molecular FormulaC10H21N3O5
Molecular Weight263.29 g/mol
Exact Mass263.15
IUPAC Nameethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCOCCOC
InChIInChI=1S/C10H21N3O5/c1-3-18-10(15)12-5-4-11-9(14)13-8-17-7-6-16-2/h3-8H2,1-2H3,(H,12,15)(H2,11,13,14)
InChIKeyQFMRCWZTVAKHHN-UHFFFAOYSA-N
XLogP-0.35
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
CID 108893697
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate
CID 10924821
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-propylcarbamate
CID 12199
1-ethoxy-3-(2-methoxyethyl)urea
CID 146345452
ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
CID 108893525
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
CID 71777323
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate (CID 108894606) is ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate is CCOC(=O)NCCNC(=O)NCOCCOC.
What is the InChIKey of ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate?
The InChIKey is QFMRCWZTVAKHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5/c1-3-18-10(15)12-5-4-11-9(14)13-8-17-7-6-16-2/h3-8H2,1-2H3,(H,12,15)(H2,11,13,14).
What are the key properties of ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate?
ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate has a molecular weight of 263.29 g/mol, XLogP of -0.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 108894606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).