1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide

C10H23N5O3 — CID 157479441

IUPAC1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide
SMILESC=NC(=O)NC.CCC(=O)NC.CNC(=O)NC
InChIInChI=1S/C4H9NO.C3H8N2O.C3H6N2O/c1-3-4(6)5-2;2*1-4-3(6)5-2/h3H2,1-2H3,(H,5,6);1-2H3,(H2,4,5,6);1H2,2H3,(H,5,6)
InChIKeyBVZISZUGAUKIFU-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.29
Rot. Bonds1

About 1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide

1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide (PubChem CID 157479441) has the molecular formula C10H23N5O3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide.

Molecular Properties

Compound Name1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide
PubChem CID157479441
Molecular FormulaC10H23N5O3
Molecular Weight261.33 g/mol
Exact Mass261.18
IUPAC Name1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide
SMILESC=NC(=O)NC.CCC(=O)NC.CNC(=O)NC
InChIInChI=1S/C4H9NO.C3H8N2O.C3H6N2O/c1-3-4(6)5-2;2*1-4-3(6)5-2/h3H2,1-2H3,(H,5,6);1-2H3,(H2,4,5,6);1H2,2H3,(H,5,6)
InChIKeyBVZISZUGAUKIFU-UHFFFAOYSA-N
XLogP-0.29
TPSA111.69 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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1-ethyl-3-methylideneurea
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N-methylpropanamide;1-methylsulfonylpropane
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide?
The IUPAC name of 1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide (CID 157479441) is 1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide.
What is the SMILES notation for 1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide?
The canonical SMILES for 1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide is C=NC(=O)NC.CCC(=O)NC.CNC(=O)NC.
What is the InChIKey of 1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide?
The InChIKey is BVZISZUGAUKIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H8N2O.C3H6N2O/c1-3-4(6)5-2;2*1-4-3(6)5-2/h3H2,1-2H3,(H,5,6);1-2H3,(H2,4,5,6);1H2,2H3,(H,5,6).
What are the key properties of 1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide?
1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide has a molecular weight of 261.33 g/mol, XLogP of -0.29, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide is sourced from PubChem (CID 157479441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).