1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea

C12H24N2O3 — CID 104929916

IUPAC1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea
SMILESCC(C)(C)C(CCO)NC(=O)NC1CCOC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)10(4-6-15)14-11(16)13-9-5-7-17-8-9/h9-10,15H,4-8H2,1-3H3,(H2,13,14,16)
InChIKeyWUPRVVYCTBWYKI-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.87
Rot. Bonds4

About 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea

1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea (PubChem CID 104929916) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea
PubChem CID104929916
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea
SMILESCC(C)(C)C(CCO)NC(=O)NC1CCOC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)10(4-6-15)14-11(16)13-9-5-7-17-8-9/h9-10,15H,4-8H2,1-3H3,(H2,13,14,16)
InChIKeyWUPRVVYCTBWYKI-UHFFFAOYSA-N
XLogP0.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
1-hexan-3-yl-3-(oxolan-3-yl)urea
CID 115759008
1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
CID 115759088
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
[3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid
CID 67085234
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
1-but-3-en-2-yl-3-(oxolan-3-yl)urea
CID 115759178
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
N-methyl-2-(oxolan-3-ylcarbamoylamino)propanamide
CID 115758780
3,3-difluoro-N-(oxolan-3-yl)butanamide
CID 130702956

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea (CID 104929916) is 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea is CC(C)(C)C(CCO)NC(=O)NC1CCOC1.
What is the InChIKey of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea?
The InChIKey is WUPRVVYCTBWYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)10(4-6-15)14-11(16)13-9-5-7-17-8-9/h9-10,15H,4-8H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea?
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea has a molecular weight of 244.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 104929916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).