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

C10H20N2O3 — CID 110359336

IUPAC1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCC1(C)OCCO1
InChIInChI=1S/C10H20N2O3/c1-3-5-11-9(13)12-6-4-10(2)14-7-8-15-10/h3-8H2,1-2H3,(H2,11,12,13)
InChIKeyFMMWIFPBHXXLLL-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.85
Rot. Bonds5

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

1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea (PubChem CID 110359336) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
PubChem CID110359336
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCC1(C)OCCO1
InChIInChI=1S/C10H20N2O3/c1-3-5-11-9(13)12-6-4-10(2)14-7-8-15-10/h3-8H2,1-2H3,(H2,11,12,13)
InChIKeyFMMWIFPBHXXLLL-UHFFFAOYSA-N
XLogP0.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide
CID 110036817
methyl N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]carbamate
CID 57358884
1-(4-chlorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
CID 110359308
1-ethyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]urea
CID 130621364
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110033082
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]oxolane-2-carboxamide
CID 110423404
1-(4-bromo-2-methylphenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
CID 75522451
1-(3-bromo-4-fluorophenyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
CID 75477854
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]furan-2-carboxamide
CID 110359265
(E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide
CID 110618102
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
CID 114749715
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 146132710

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea (CID 110359336) is 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea is CCCNC(=O)NCCC1(C)OCCO1.
What is the InChIKey of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea?
The InChIKey is FMMWIFPBHXXLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-5-11-9(13)12-6-4-10(2)14-7-8-15-10/h3-8H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea?
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea has a molecular weight of 216.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea is sourced from PubChem (CID 110359336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).