1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea

C13H24N2O3 — CID 107265907

IUPAC1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
SMILESCC1OCCC1(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10-13(17,7-8-18-10)9-14-12(16)15-11-5-3-2-4-6-11/h10-11,17H,2-9H2,1H3,(H2,14,15,16)
InChIKeyJYZDMNUCRXWCTR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.16
Rot. Bonds3

About 1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea

1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea (PubChem CID 107265907) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
PubChem CID107265907
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
SMILESCC1OCCC1(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10-13(17,7-8-18-10)9-14-12(16)15-11-5-3-2-4-6-11/h10-11,17H,2-9H2,1H3,(H2,14,15,16)
InChIKeyJYZDMNUCRXWCTR-UHFFFAOYSA-N
XLogP1.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
CID 106101003
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101015
5-[(3-hydroxy-2-methyloxolan-3-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106099783
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101649
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
CID 106102911
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101708

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea (CID 107265907) is 1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea is CC1OCCC1(O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea?
The InChIKey is JYZDMNUCRXWCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-13(17,7-8-18-10)9-14-12(16)15-11-5-3-2-4-6-11/h10-11,17H,2-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea?
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea has a molecular weight of 256.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea is sourced from PubChem (CID 107265907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).