1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one

C14H33N5O5 — CID 90924922

IUPAC1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one
SMILESCC(C)=O.CCC(=O)NC.CCNC(=O)ONC.CNC(=O)NC
InChIInChI=1S/C4H10N2O2.C4H9NO.C3H8N2O.C3H6O/c1-3-6-4(7)8-5-2;1-3-4(6)5-2;1-4-3(6)5-2;1-3(2)4/h5H,3H2,1-2H3,(H,6,7);3H2,1-2H3,(H,5,6);1-2H3,(H2,4,5,6);1-2H3
InChIKeyQRPXUPBLZULKHQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.15
Rot. Bonds3

About 1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one

1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one (PubChem CID 90924922) has the molecular formula C14H33N5O5 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one.

Molecular Properties

Compound Name1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one
PubChem CID90924922
Molecular FormulaC14H33N5O5
Molecular Weight351.45 g/mol
Exact Mass351.25
IUPAC Name1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one
SMILESCC(C)=O.CCC(=O)NC.CCNC(=O)ONC.CNC(=O)NC
InChIInChI=1S/C4H10N2O2.C4H9NO.C3H8N2O.C3H6O/c1-3-6-4(7)8-5-2;1-3-4(6)5-2;1-4-3(6)5-2;1-3(2)4/h5H,3H2,1-2H3,(H,6,7);3H2,1-2H3,(H,5,6);1-2H3,(H2,4,5,6);1-2H3
InChIKeyQRPXUPBLZULKHQ-UHFFFAOYSA-N
XLogP0.15
TPSA137.66 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methylpropanamide;propane
CID 91316585
CID 160664038
CID 160664038
1,3-dimethylurea;1-methyl-3-methylideneurea;N-methylpropanamide
CID 157479441
hydrazinyl N-ethylcarbamate
CID 54234991
2-(ethylcarbamoylamino)-N-methylacetamide
CID 115575880
N'-ethyl-N-methylpropanediamide;methane
CID 158978281
2-[2-(ethylamino)-2-oxoethoxy]-N-methylacetamide
CID 90077876
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
acetylene;N-ethylpropanamide
CID 143477358
[(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate
CID 7639690
zinc;bis(N-methylpropanamide);dinitrate
CID 56843871

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one?
The IUPAC name of 1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one (CID 90924922) is 1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one.
What is the SMILES notation for 1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one?
The canonical SMILES for 1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one is CC(C)=O.CCC(=O)NC.CCNC(=O)ONC.CNC(=O)NC.
What is the InChIKey of 1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one?
The InChIKey is QRPXUPBLZULKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.C4H9NO.C3H8N2O.C3H6O/c1-3-6-4(7)8-5-2;1-3-4(6)5-2;1-4-3(6)5-2;1-3(2)4/h5H,3H2,1-2H3,(H,6,7);3H2,1-2H3,(H,5,6);1-2H3,(H2,4,5,6);1-2H3.
What are the key properties of 1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one?
1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one has a molecular weight of 351.45 g/mol, XLogP of 0.15, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one is sourced from PubChem (CID 90924922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).