3-(2,2-dimethoxyethyl)-1,1-dimethylurea

C7H16N2O3 — CID 79153179

IUPAC3-(2,2-dimethoxyethyl)-1,1-dimethylurea
SMILESCOC(CNC(=O)N(C)C)OC
InChIInChI=1S/C7H16N2O3/c1-9(2)7(10)8-5-6(11-3)12-4/h6H,5H2,1-4H3,(H,8,10)
InChIKeyBZRHJKIGSNCIGW-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.12
Rot. Bonds4

About 3-(2,2-dimethoxyethyl)-1,1-dimethylurea

3-(2,2-dimethoxyethyl)-1,1-dimethylurea (PubChem CID 79153179) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)-1,1-dimethylurea
PubChem CID79153179
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name3-(2,2-dimethoxyethyl)-1,1-dimethylurea
SMILESCOC(CNC(=O)N(C)C)OC
InChIInChI=1S/C7H16N2O3/c1-9(2)7(10)8-5-6(11-3)12-4/h6H,5H2,1-4H3,(H,8,10)
InChIKeyBZRHJKIGSNCIGW-UHFFFAOYSA-N
XLogP-0.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethoxyethylcarbamic acid
CID 18938836
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
3-[(2S)-2-amino-3-hydroxypropyl]-1,1-dimethylurea
CID 10678549
3-(2-ethylbutyl)-1,1-dimethylurea
CID 84513331
N'-(2,2-dimethoxyethyl)-N-ethyloxamide
CID 44997787
3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710
4-(2,2-dimethoxyethylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992948
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
3-(2-cyanopropyl)-1,1-dimethylurea
CID 78954145
3-amino-N-(2,2-dimethoxyethyl)propanamide
CID 61275461
3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea
CID 115580140
N-(2,2-dimethoxyethyl)-2-methoxy-2-methylpropanamide
CID 103020556

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethyl)-1,1-dimethylurea?
The IUPAC name of 3-(2,2-dimethoxyethyl)-1,1-dimethylurea (CID 79153179) is 3-(2,2-dimethoxyethyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2,2-dimethoxyethyl)-1,1-dimethylurea is COC(CNC(=O)N(C)C)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)-1,1-dimethylurea?
The InChIKey is BZRHJKIGSNCIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-9(2)7(10)8-5-6(11-3)12-4/h6H,5H2,1-4H3,(H,8,10).
What are the key properties of 3-(2,2-dimethoxyethyl)-1,1-dimethylurea?
3-(2,2-dimethoxyethyl)-1,1-dimethylurea has a molecular weight of 176.22 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethyl)-1,1-dimethylurea is sourced from PubChem (CID 79153179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).