1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea

C15H30N2O3 — CID 10517349

IUPAC1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea
SMILESCCNC(=O)N(CC(O)COC1CCCC1)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-5-16-14(19)17(15(2,3)4)10-12(18)11-20-13-8-6-7-9-13/h12-13,18H,5-11H2,1-4H3,(H,16,19)
InChIKeyZOFIDSLGJUZZSB-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.14
Rot. Bonds6

About 1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea

1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea (PubChem CID 10517349) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea.

Molecular Properties

Compound Name1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea
PubChem CID10517349
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea
SMILESCCNC(=O)N(CC(O)COC1CCCC1)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-5-16-14(19)17(15(2,3)4)10-12(18)11-20-13-8-6-7-9-13/h12-13,18H,5-11H2,1-4H3,(H,16,19)
InChIKeyZOFIDSLGJUZZSB-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea?
The IUPAC name of 1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea (CID 10517349) is 1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea.
What is the SMILES notation for 1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea?
The canonical SMILES for 1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea is CCNC(=O)N(CC(O)COC1CCCC1)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea?
The InChIKey is ZOFIDSLGJUZZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-16-14(19)17(15(2,3)4)10-12(18)11-20-13-8-6-7-9-13/h12-13,18H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea?
1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea has a molecular weight of 286.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-(3-cyclopentyloxy-2-hydroxypropyl)-3-ethylurea is sourced from PubChem (CID 10517349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).