3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea

C9H18N2O3 — CID 103800989

IUPAC3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C9H18N2O3/c1-9(2)13-6-7(14-9)5-10-8(12)11(3)4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyZSHIPPPLHGYZAD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.41
Rot. Bonds2

About 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea

3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea (PubChem CID 103800989) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
PubChem CID103800989
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C9H18N2O3/c1-9(2)13-6-7(14-9)5-10-8(12)11(3)4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyZSHIPPPLHGYZAD-UHFFFAOYSA-N
XLogP0.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N,N'-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanediamide
CID 22369352
1-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentane-1-carboxamide
CID 107389480
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide
CID 107390241
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethoxyacetamide
CID 103762450
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid
CID 107388957
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-oxohexanoic acid
CID 107388938
3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
CID 107389066
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide
CID 103842930
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103800557
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea (CID 103800989) is 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea is CN(C)C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea?
The InChIKey is ZSHIPPPLHGYZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2)13-6-7(14-9)5-10-8(12)11(3)4/h7H,5-6H2,1-4H3,(H,10,12).
What are the key properties of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea?
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea has a molecular weight of 202.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 103800989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).