1,1,3-tris(methoxymethyl)urea

C7H16N2O4 — CID 18962124

IUPAC1,1,3-tris(methoxymethyl)urea
SMILESCOCNC(=O)N(COC)COC
InChIInChI=1S/C7H16N2O4/c1-11-4-8-7(10)9(5-12-2)6-13-3/h4-6H2,1-3H3,(H,8,10)
InChIKeyIVHGQRJQXVQZIL-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.19
Rot. Bonds6

About 1,1,3-tris(methoxymethyl)urea

1,1,3-tris(methoxymethyl)urea (PubChem CID 18962124) has the molecular formula C7H16N2O4 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1,1,3-tris(methoxymethyl)urea.

Molecular Properties

Compound Name1,1,3-tris(methoxymethyl)urea
PubChem CID18962124
Molecular FormulaC7H16N2O4
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1,1,3-tris(methoxymethyl)urea
SMILESCOCNC(=O)N(COC)COC
InChIInChI=1S/C7H16N2O4/c1-11-4-8-7(10)9(5-12-2)6-13-3/h4-6H2,1-3H3,(H,8,10)
InChIKeyIVHGQRJQXVQZIL-UHFFFAOYSA-N
XLogP-0.19
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,3-tris(methoxymethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(methoxymethyl)-1-[[4-[[4-[[methoxymethyl(methoxymethylcarbamoyl)amino]methyl]phenyl]methyl]phenyl]methyl]urea
CID 122578284
2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate
CID 144815337
methyl N-(methoxymethyl)carbamate
CID 12599260
1,1,3-tris(butoxymethyl)urea
CID 89402141
1-ethyl-1-(2-hydroxyethyl)-3-(2-methoxyethoxymethyl)urea
CID 108894427
N-(methoxymethyl)-1-methylcyclopropane-1-carboxamide
CID 67345335
3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
N,N-bis(methoxymethyl)butanamide
CID 59789167
N-(methoxymethyl)-3-[3-(methoxymethylamino)-3-oxopropoxy]propanamide
CID 163884535
4-(methoxymethylamino)-4-oxobutanoic acid
CID 121230669
methyl 2-(methoxymethylcarbamoylamino)acetate
CID 108893664
1-(methoxymethyl)-3-(2-methylpropyl)urea
CID 110675890

Frequently Asked Questions

What is the IUPAC name of 1,1,3-tris(methoxymethyl)urea?
The IUPAC name of 1,1,3-tris(methoxymethyl)urea (CID 18962124) is 1,1,3-tris(methoxymethyl)urea.
What is the SMILES notation for 1,1,3-tris(methoxymethyl)urea?
The canonical SMILES for 1,1,3-tris(methoxymethyl)urea is COCNC(=O)N(COC)COC.
What is the InChIKey of 1,1,3-tris(methoxymethyl)urea?
The InChIKey is IVHGQRJQXVQZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4/c1-11-4-8-7(10)9(5-12-2)6-13-3/h4-6H2,1-3H3,(H,8,10).
What are the key properties of 1,1,3-tris(methoxymethyl)urea?
1,1,3-tris(methoxymethyl)urea has a molecular weight of 192.21 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tris(methoxymethyl)urea is sourced from PubChem (CID 18962124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).