1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea

C12H22N2O2 — CID 47221382

IUPAC1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CCCO1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-8(10-5-6-10)13-12(15)14-9(2)11-4-3-7-16-11/h8-11H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyRIOLQBLMHRTECV-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.65
Rot. Bonds4

About 1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea

1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 47221382) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID47221382
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CCCO1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-8(10-5-6-10)13-12(15)14-9(2)11-4-3-7-16-11/h8-11H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyRIOLQBLMHRTECV-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N'-(tetrahydro-2-furanylmethyl)urea
CID 2886315
1-[2-(Dimethylamino)-4-methylpentyl]-3-(oxolan-2-ylmethyl)urea
CID 56813970
1-(3,3-Dimethylbutan-2-yl)-3-(oxolan-2-ylmethyl)urea
CID 72136625
1-[(1-Ethylcyclopropyl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75380040
1-[2-Methoxy-1-(oxolan-2-yl)ethyl]-3-(4-methylpent-1-yn-3-yl)urea
CID 121521025
1-Cyclohexyl-3-[[(2~{r})-Oxolan-2-Yl]methyl]urea
CID 681640
1-[1-(Oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 75887997
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-3-(oxolan-2-yl)morpholine-4-carboxamide
CID 128425794
1-(Oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 23789900
1-Cyclopropyl-3-(oxolan-2-ylmethyl)-1-propylurea
CID 58376839
2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide
CID 90224450
1-[1-(Oxolan-2-yl)ethyl]-3-propan-2-ylurea
CID 115582549

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea (CID 47221382) is 1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NC(C)C1CCCO1)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is RIOLQBLMHRTECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(10-5-6-10)13-12(15)14-9(2)11-4-3-7-16-11/h8-11H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea?
1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 226.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 47221382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).