3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea

C10H20N2O3 — CID 110369964

IUPAC3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCC1OCCO1
InChIInChI=1S/C10H20N2O3/c1-3-12(4-2)10(13)11-6-5-9-14-7-8-15-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyLRGOFNSDHAMZRH-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.80
Rot. Bonds5

About 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea

3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea (PubChem CID 110369964) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea
PubChem CID110369964
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCCC1OCCO1
InChIInChI=1S/C10H20N2O3/c1-3-12(4-2)10(13)11-6-5-9-14-7-8-15-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyLRGOFNSDHAMZRH-UHFFFAOYSA-N
XLogP0.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 113231664
2-chloro-N-[2-(1,3-dioxolan-2-yl)ethyl]acetamide
CID 19032062
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
3-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851955
1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
CID 110445097
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
1,1-diethyl-3-(3,3,3-trifluoropropyl)urea
CID 115650872
N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
CID 108573873
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
CID 115583735
N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 14952151

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea?
The IUPAC name of 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea (CID 110369964) is 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea.
What is the SMILES notation for 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea?
The canonical SMILES for 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea is CCN(CC)C(=O)NCCC1OCCO1.
What is the InChIKey of 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea?
The InChIKey is LRGOFNSDHAMZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-12(4-2)10(13)11-6-5-9-14-7-8-15-9/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea?
3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea has a molecular weight of 216.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea is sourced from PubChem (CID 110369964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).