3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C17H30N2O2 — CID 109398738

IUPAC3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)NC1CC1C1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-19(11-13-8-5-9-16(13)20)17(21)18-15-10-14(15)12-6-3-2-4-7-12/h12-16,20H,2-11H2,1H3,(H,18,21)
InChIKeyOQVXGYZOQDTMDU-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.76
Rot. Bonds4

About 3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109398738) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109398738
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)NC1CC1C1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-19(11-13-8-5-9-16(13)20)17(21)18-15-10-14(15)12-6-3-2-4-7-12/h12-16,20H,2-11H2,1H3,(H,18,21)
InChIKeyOQVXGYZOQDTMDU-UHFFFAOYSA-N
XLogP2.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea
CID 75432538
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012775
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011987
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea
CID 109398500
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 109398543
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methyl-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 124731511
3-[[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 129445929
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
CID 109396901
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea
CID 109398834
1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
CID 99786912

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109398738) is 3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is CN(CC1CCCC1O)C(=O)NC1CC1C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is OQVXGYZOQDTMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-19(11-13-8-5-9-16(13)20)17(21)18-15-10-14(15)12-6-3-2-4-7-12/h12-16,20H,2-11H2,1H3,(H,18,21).
What are the key properties of 3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 294.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109398738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).