1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea

C11H22N2O2 — CID 102846228

IUPAC1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-11(15)13(7-4-8-14)10-5-3-6-10/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKeyPNRZUOCJQALERX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.34
Rot. Bonds5

About 1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea

1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea (PubChem CID 102846228) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
PubChem CID102846228
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-11(15)13(7-4-8-14)10-5-3-6-10/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKeyPNRZUOCJQALERX-UHFFFAOYSA-N
XLogP1.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-[(1R)-1-(hydroxymethyl)propyl]urea
CID 72196936
N-(3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 112725646
1-Butyl-3-(3-hydroxypropyl)-1-propylurea
CID 127578321
1-Cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 102846906
1-Cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104860786
1-(3-Hydroxypropyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 115605726
1-Butyl-3-(3-hydroxypropyl)urea
CID 22381404
1-Butyl-3-(1-hydroxybutan-2-yl)urea
CID 43393019
1-(3-Hydroxypropyl)-3-propan-2-ylurea
CID 43501241
1-Butyl-3-(1-hydroxypropan-2-yl)urea
CID 43501256
1-[2-[Ethyl(3-hydroxypropyl)amino]ethyl]-3-methylurea
CID 57957293
1-Butyl-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312717

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea?
The IUPAC name of 1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea (CID 102846228) is 1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea?
The canonical SMILES for 1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea is CC(C)NC(=O)N(CCCO)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea?
The InChIKey is PNRZUOCJQALERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)12-11(15)13(7-4-8-14)10-5-3-6-10/h9-10,14H,3-8H2,1-2H3,(H,12,15).
What are the key properties of 1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea?
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea has a molecular weight of 214.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea is sourced from PubChem (CID 102846228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).