1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea

C13H26N2O3 — CID 71846056

IUPAC1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea
SMILESCC(C)N(CC(C)(C)O)C(=O)NCC1CCCO1
InChIInChI=1S/C13H26N2O3/c1-10(2)15(9-13(3,4)17)12(16)14-8-11-6-5-7-18-11/h10-11,17H,5-9H2,1-4H3,(H,14,16)
InChIKeyOLTDJILPASCTSM-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.36
Rot. Bonds5

About 1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea

1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea (PubChem CID 71846056) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea
PubChem CID71846056
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea
SMILESCC(C)N(CC(C)(C)O)C(=O)NCC1CCCO1
InChIInChI=1S/C13H26N2O3/c1-10(2)15(9-13(3,4)17)12(16)14-8-11-6-5-7-18-11/h10-11,17H,5-9H2,1-4H3,(H,14,16)
InChIKeyOLTDJILPASCTSM-UHFFFAOYSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
CID 38154782
N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea
CID 38154784
(diethylamino)-N-(oxolan-2-ylmethyl)carboxamide
CID 2985186
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
3-(2,2-Difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 86817987
(2R)-2-(hydroxymethyl)-2-methyl-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide
CID 97841046
1-Ethyl-3-(3-fluoropropyl)-1-(oxolan-2-ylmethyl)urea
CID 86817999
3-(2,2-difluoroethyl)-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99615590
3-(2,2-difluoroethyl)-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 99615592
1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99615634
1-ethyl-3-(3-fluoropropyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 99615636

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea (CID 71846056) is 1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea is CC(C)N(CC(C)(C)O)C(=O)NCC1CCCO1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea?
The InChIKey is OLTDJILPASCTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)15(9-13(3,4)17)12(16)14-8-11-6-5-7-18-11/h10-11,17H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea?
1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea has a molecular weight of 258.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)-1-propan-2-ylurea is sourced from PubChem (CID 71846056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).