3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea

C15H31N3O2 — CID 47250493

IUPAC3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCC(C1CCCCC1)N(C)C
InChIInChI=1S/C15H31N3O2/c1-4-18(10-11-19)15(20)16-12-14(17(2)3)13-8-6-5-7-9-13/h13-14,19H,4-12H2,1-3H3,(H,16,20)
InChIKeyVJXLIJLEOYADSB-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.52
Rot. Bonds7

About 3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 47250493) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID47250493
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCC(C1CCCCC1)N(C)C
InChIInChI=1S/C15H31N3O2/c1-4-18(10-11-19)15(20)16-12-14(17(2)3)13-8-6-5-7-9-13/h13-14,19H,4-12H2,1-3H3,(H,16,20)
InChIKeyVJXLIJLEOYADSB-UHFFFAOYSA-N
XLogP1.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 47250493) is 3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCC(C1CCCCC1)N(C)C.
What is the InChIKey of 3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is VJXLIJLEOYADSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-18(10-11-19)15(20)16-12-14(17(2)3)13-8-6-5-7-9-13/h13-14,19H,4-12H2,1-3H3,(H,16,20).
What are the key properties of 3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 285.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 47250493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).