1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C17H32N2O3 — CID 111506485

IUPAC1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)NCCOC1CCCCCC1
InChIInChI=1S/C17H32N2O3/c1-17(13-20)10-6-9-15(17)19-16(21)18-11-12-22-14-7-4-2-3-5-8-14/h14-15,20H,2-13H2,1H3,(H2,18,19,21)
InChIKeyJXDLHCOBTALCJH-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.58
Rot. Bonds6

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

1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111506485) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111506485
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)NCCOC1CCCCCC1
InChIInChI=1S/C17H32N2O3/c1-17(13-20)10-6-9-15(17)19-16(21)18-11-12-22-14-7-4-2-3-5-8-14/h14-15,20H,2-13H2,1H3,(H2,18,19,21)
InChIKeyJXDLHCOBTALCJH-UHFFFAOYSA-N
XLogP2.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(3-methylbutoxy)ethyl]urea
CID 111505389
1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111470878
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508607
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 111504669
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
1-[2-(2,4-difluorophenoxy)ethyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506035
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 63833547
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 111504183

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111506485) is 1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CC1(CO)CCCC1NC(=O)NCCOC1CCCCCC1.
What is the InChIKey of 1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is JXDLHCOBTALCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(13-20)10-6-9-15(17)19-16(21)18-11-12-22-14-7-4-2-3-5-8-14/h14-15,20H,2-13H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 312.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111506485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).