1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea

C12H24N2O3 — CID 111470902

IUPAC1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCC(C)C(CCO)NC(=O)NCC1CCCO1
InChIInChI=1S/C12H24N2O3/c1-9(2)11(5-6-15)14-12(16)13-8-10-4-3-7-17-10/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyZICTXARSUKSLRH-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.87
Rot. Bonds6

About 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea

1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 111470902) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea
PubChem CID111470902
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCC(C)C(CCO)NC(=O)NCC1CCCO1
InChIInChI=1S/C12H24N2O3/c1-9(2)11(5-6-15)14-12(16)13-8-10-4-3-7-17-10/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyZICTXARSUKSLRH-UHFFFAOYSA-N
XLogP0.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 3352161
1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 111504834
4-methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 4037281
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide
CID 95352951
4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol
CID 115724586
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
3-methyl-2-[(oxolan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218986
2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
CID 62669383
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
3-hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
CID 55013928
1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026796

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea (CID 111470902) is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea is CC(C)C(CCO)NC(=O)NCC1CCCO1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is ZICTXARSUKSLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)11(5-6-15)14-12(16)13-8-10-4-3-7-17-10/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea?
1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 244.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 111470902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).