1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea

C15H28N2O2 — CID 99858704

IUPAC1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
SMILESO=C(NCCC1CCCCC1)NC[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H28N2O2/c18-14-7-6-13(10-14)11-17-15(19)16-9-8-12-4-2-1-3-5-12/h12-14,18H,1-11H2,(H2,16,17,19)/t13-,14+/m0/s1
InChIKeyNJUAPPCLPOCTJR-UONOGXRCSA-N
MW268.40 g/mol
LogP2.42
Rot. Bonds5

About 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea

1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea (PubChem CID 99858704) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
PubChem CID99858704
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
SMILESO=C(NCCC1CCCCC1)NC[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H28N2O2/c18-14-7-6-13(10-14)11-17-15(19)16-9-8-12-4-2-1-3-5-12/h12-14,18H,1-11H2,(H2,16,17,19)/t13-,14+/m0/s1
InChIKeyNJUAPPCLPOCTJR-UONOGXRCSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea with MolForge

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Related Compounds

3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
CID 103529231
1-[(3-hydroxycyclopentyl)methyl]-3-propylurea
CID 103207904
1-(2-tert-butylsulfanylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99792927
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
1-(2-cyclohexylethyl)-3-[(2S)-2-(cyclopropylmethylamino)-3-(4-hydroxycyclohexyl)propyl]urea
CID 135213854
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319
1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 86811886
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 111504670
1-[(3-hydroxycyclohexyl)methyl]-3-(4-methylsulfanylbutyl)urea
CID 111506508
N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide
CID 163743916
1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 111486817

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea (CID 99858704) is 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea is O=C(NCCC1CCCCC1)NC[C@H]1CC[C@@H](O)C1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The InChIKey is NJUAPPCLPOCTJR-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-14-7-6-13(10-14)11-17-15(19)16-9-8-12-4-2-1-3-5-12/h12-14,18H,1-11H2,(H2,16,17,19)/t13-,14+/m0/s1.
What are the key properties of 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea has a molecular weight of 268.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 99858704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).