3-(diethylcarbamoylamino)-1,1-dimethylurea

C8H18N4O2 — CID 54356119

IUPAC3-(diethylcarbamoylamino)-1,1-dimethylurea
SMILESCCN(CC)C(=O)NNC(=O)N(C)C
InChIInChI=1S/C8H18N4O2/c1-5-12(6-2)8(14)10-9-7(13)11(3)4/h5-6H2,1-4H3,(H,9,13)(H,10,14)
InChIKeyQUYVOMKMJLAIQO-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.22
Rot. Bonds2

About 3-(diethylcarbamoylamino)-1,1-dimethylurea

3-(diethylcarbamoylamino)-1,1-dimethylurea (PubChem CID 54356119) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(diethylcarbamoylamino)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(diethylcarbamoylamino)-1,1-dimethylurea
PubChem CID54356119
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name3-(diethylcarbamoylamino)-1,1-dimethylurea
SMILESCCN(CC)C(=O)NNC(=O)N(C)C
InChIInChI=1S/C8H18N4O2/c1-5-12(6-2)8(14)10-9-7(13)11(3)4/h5-6H2,1-4H3,(H,9,13)(H,10,14)
InChIKeyQUYVOMKMJLAIQO-UHFFFAOYSA-N
XLogP0.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethyl-3-methylurea;methane;propane
CID 160547230
1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
1,1-diethyl-3-(phenylsulfanylamino)urea
CID 151507405
1,1-diethyl-3-methyl-3-propan-2-ylurea
CID 89002923
3-[(2-chlorobenzoyl)amino]-1,1-diethylurea
CID 14173554
N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride
CID 88722025
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
3-(3-carbamothioylpentan-3-yl)-1,1-diethylurea
CID 79161961
N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
CID 108573873
3-amino-1-ethyl-1-propylurea
CID 43269070
3-amino-1-ethyl-1-methylurea
CID 43263702
N-(dimethylcarbamoylamino)formamide
CID 57038201

Frequently Asked Questions

What is the IUPAC name of 3-(diethylcarbamoylamino)-1,1-dimethylurea?
The IUPAC name of 3-(diethylcarbamoylamino)-1,1-dimethylurea (CID 54356119) is 3-(diethylcarbamoylamino)-1,1-dimethylurea.
What is the SMILES notation for 3-(diethylcarbamoylamino)-1,1-dimethylurea?
The canonical SMILES for 3-(diethylcarbamoylamino)-1,1-dimethylurea is CCN(CC)C(=O)NNC(=O)N(C)C.
What is the InChIKey of 3-(diethylcarbamoylamino)-1,1-dimethylurea?
The InChIKey is QUYVOMKMJLAIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-5-12(6-2)8(14)10-9-7(13)11(3)4/h5-6H2,1-4H3,(H,9,13)(H,10,14).
What are the key properties of 3-(diethylcarbamoylamino)-1,1-dimethylurea?
3-(diethylcarbamoylamino)-1,1-dimethylurea has a molecular weight of 202.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylcarbamoylamino)-1,1-dimethylurea is sourced from PubChem (CID 54356119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).