1-ethoxy-3-(methoxymethyl)urea

C5H12N2O3 — CID 146345453

IUPAC1-ethoxy-3-(methoxymethyl)urea
SMILESCCONC(=O)NCOC
InChIInChI=1S/C5H12N2O3/c1-3-10-7-5(8)6-4-9-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeySQGWNXOJICRHGW-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.16
Rot. Bonds4

About 1-ethoxy-3-(methoxymethyl)urea

1-ethoxy-3-(methoxymethyl)urea (PubChem CID 146345453) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-ethoxy-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-ethoxy-3-(methoxymethyl)urea
PubChem CID146345453
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name1-ethoxy-3-(methoxymethyl)urea
SMILESCCONC(=O)NCOC
InChIInChI=1S/C5H12N2O3/c1-3-10-7-5(8)6-4-9-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeySQGWNXOJICRHGW-UHFFFAOYSA-N
XLogP-0.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-(2-methoxyethyl)urea
CID 146345452
ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
CID 108893697
methyl N-(methoxymethyl)carbamate
CID 12599260
propyl N-(methoxymethyl)carbamate
CID 142704391
1-butan-2-yl-3-(methoxymethyl)urea
CID 110675891
methyl 2-(methoxymethylcarbamoylamino)acetate
CID 108893664
1-(methoxymethyl)-3-(2-methylpropyl)urea
CID 110675890
ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate
CID 108894606
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
1-ethoxy-3-[(2S)-1-fluoropropan-2-yl]urea
CID 131206706
2-trimethylsilylethyl N-(methoxymethyl)carbamate
CID 155582903
2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(methoxymethyl)urea?
The IUPAC name of 1-ethoxy-3-(methoxymethyl)urea (CID 146345453) is 1-ethoxy-3-(methoxymethyl)urea.
What is the SMILES notation for 1-ethoxy-3-(methoxymethyl)urea?
The canonical SMILES for 1-ethoxy-3-(methoxymethyl)urea is CCONC(=O)NCOC.
What is the InChIKey of 1-ethoxy-3-(methoxymethyl)urea?
The InChIKey is SQGWNXOJICRHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-3-10-7-5(8)6-4-9-2/h3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of 1-ethoxy-3-(methoxymethyl)urea?
1-ethoxy-3-(methoxymethyl)urea has a molecular weight of 148.16 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(methoxymethyl)urea is sourced from PubChem (CID 146345453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).