1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea

C13H26N2O3 — CID 111508607

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea
SMILESCOC(C)(C)CNC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C13H26N2O3/c1-12(2,18-4)8-14-11(17)15-10-6-5-7-13(10,3)9-16/h10,16H,5-9H2,1-4H3,(H2,14,15,17)
InChIKeyMCTMKJOYGRDREG-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.26
Rot. Bonds5

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea (PubChem CID 111508607) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea
PubChem CID111508607
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea
SMILESCOC(C)(C)CNC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C13H26N2O3/c1-12(2,18-4)8-14-11(17)15-10-6-5-7-13(10,3)9-16/h10,16H,5-9H2,1-4H3,(H2,14,15,17)
InChIKeyMCTMKJOYGRDREG-UHFFFAOYSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111470878
1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506485
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 111504669
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111504256
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(3-methylbutoxy)ethyl]urea
CID 111505389
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505982
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111486882
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 111504406
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111503768
1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 97076034

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea (CID 111508607) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea is COC(C)(C)CNC(=O)NC1CCCC1(C)CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea?
The InChIKey is MCTMKJOYGRDREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,18-4)8-14-11(17)15-10-6-5-7-13(10,3)9-16/h10,16H,5-9H2,1-4H3,(H2,14,15,17).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea has a molecular weight of 258.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea is sourced from PubChem (CID 111508607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).