1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea

C13H24N2O3 — CID 112703946

IUPAC1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea
SMILESO=C(NCC1(CO)CCCCC1)NC1CCOC1
InChIInChI=1S/C13H24N2O3/c16-10-13(5-2-1-3-6-13)9-14-12(17)15-11-4-7-18-8-11/h11,16H,1-10H2,(H2,14,15,17)
InChIKeyISRHDSUTAFTERQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.02
Rot. Bonds4

About 1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea

1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea (PubChem CID 112703946) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea
PubChem CID112703946
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea
SMILESO=C(NCC1(CO)CCCCC1)NC1CCOC1
InChIInChI=1S/C13H24N2O3/c16-10-13(5-2-1-3-6-13)9-14-12(17)15-11-4-7-18-8-11/h11,16H,1-10H2,(H2,14,15,17)
InChIKeyISRHDSUTAFTERQ-UHFFFAOYSA-N
XLogP1.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113400570
N-[[1-(hydroxymethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 113294474
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[(oxolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115689746
1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
CID 115759359
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 83034492

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea (CID 112703946) is 1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea is O=C(NCC1(CO)CCCCC1)NC1CCOC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea?
The InChIKey is ISRHDSUTAFTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-10-13(5-2-1-3-6-13)9-14-12(17)15-11-4-7-18-8-11/h11,16H,1-10H2,(H2,14,15,17).
What are the key properties of 1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea?
1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea has a molecular weight of 256.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 112703946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).