1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea

C10H20N2O2 — CID 114749715

IUPAC1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(CCO)CC1
InChIInChI=1S/C10H20N2O2/c1-2-6-11-9(14)12-8-10(3-4-10)5-7-13/h13H,2-8H2,1H3,(H2,11,12,14)
InChIKeyVPVFYYHSXQLUOX-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.86
Rot. Bonds6

About 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea

1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea (PubChem CID 114749715) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
PubChem CID114749715
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(CCO)CC1
InChIInChI=1S/C10H20N2O2/c1-2-6-11-9(14)12-8-10(3-4-10)5-7-13/h13H,2-8H2,1H3,(H2,11,12,14)
InChIKeyVPVFYYHSXQLUOX-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 114750427
4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid
CID 122023043
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-butylurea
CID 115456919
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,4,6-trimethylbenzamide
CID 114751380
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 114759729
2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
CID 114756197
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
CID 65121622
2-(dimethylamino)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114757294
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxyacetamide
CID 114751101
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114751464

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea?
The IUPAC name of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea (CID 114749715) is 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea?
The canonical SMILES for 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea is CCCNC(=O)NCC1(CCO)CC1.
What is the InChIKey of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea?
The InChIKey is VPVFYYHSXQLUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-6-11-9(14)12-8-10(3-4-10)5-7-13/h13H,2-8H2,1H3,(H2,11,12,14).
What are the key properties of 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea?
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea has a molecular weight of 200.28 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea is sourced from PubChem (CID 114749715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).