1,3-dimethoxy-1,3-dimethylurea

C5H12N2O3 — CID 11159391

IUPAC1,3-dimethoxy-1,3-dimethylurea
SMILESCON(C)C(=O)N(C)OC
InChIInChI=1S/C5H12N2O3/c1-6(9-3)5(8)7(2)10-4/h1-4H3
InChIKeyBXBKNWRSAAAPKG-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.09
Rot. Bonds2

About 1,3-dimethoxy-1,3-dimethylurea

1,3-dimethoxy-1,3-dimethylurea (PubChem CID 11159391) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1,3-dimethoxy-1,3-dimethylurea.

Molecular Properties

Compound Name1,3-dimethoxy-1,3-dimethylurea
PubChem CID11159391
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name1,3-dimethoxy-1,3-dimethylurea
SMILESCON(C)C(=O)N(C)OC
InChIInChI=1S/C5H12N2O3/c1-6(9-3)5(8)7(2)10-4/h1-4H3
InChIKeyBXBKNWRSAAAPKG-UHFFFAOYSA-N
XLogP0.09
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-dimethoxy-1,3-dimethylurea 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

N-methoxy-N-methylpropanamide
CID 11344007
(Z)-2-[methoxy(methyl)amino]but-2-enamide
CID 155059176
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
methoxysilyl N-methoxy-N-methylcarbamate
CID 173427291
N-methoxy-N,3-dimethylbutanamide
CID 10975620
N-methoxy-N,1-dimethylcycloprop-2-ene-1-carboxamide
CID 89246188
N-methoxy-N-methylcyclobutanecarboxamide
CID 45084194
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
CID 134856365
N-methoxy-N,3-dimethyloxirane-2-carboxamide
CID 71435783
1-amino-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 65464735
1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea
CID 21398163

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-1,3-dimethylurea?
The IUPAC name of 1,3-dimethoxy-1,3-dimethylurea (CID 11159391) is 1,3-dimethoxy-1,3-dimethylurea.
What is the SMILES notation for 1,3-dimethoxy-1,3-dimethylurea?
The canonical SMILES for 1,3-dimethoxy-1,3-dimethylurea is CON(C)C(=O)N(C)OC.
What is the InChIKey of 1,3-dimethoxy-1,3-dimethylurea?
The InChIKey is BXBKNWRSAAAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-6(9-3)5(8)7(2)10-4/h1-4H3.
What are the key properties of 1,3-dimethoxy-1,3-dimethylurea?
1,3-dimethoxy-1,3-dimethylurea has a molecular weight of 148.16 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-1,3-dimethylurea is sourced from PubChem (CID 11159391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).