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

C14H26N2O3 — CID 109398834

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea
SMILESCN(CC1CCCC1O)C(=O)NCC1(C)CCCO1
InChIInChI=1S/C14H26N2O3/c1-14(7-4-8-19-14)10-15-13(18)16(2)9-11-5-3-6-12(11)17/h11-12,17H,3-10H2,1-2H3,(H,15,18)
InChIKeyZESNEBMSRLPORE-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.36
Rot. Bonds4

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

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea (PubChem CID 109398834) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea
PubChem CID109398834
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea
SMILESCN(CC1CCCC1O)C(=O)NCC1(C)CCCO1
InChIInChI=1S/C14H26N2O3/c1-14(7-4-8-19-14)10-15-13(18)16(2)9-11-5-3-6-12(11)17/h11-12,17H,3-10H2,1-2H3,(H,15,18)
InChIKeyZESNEBMSRLPORE-UHFFFAOYSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 97242721
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea
CID 75432520
3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398770
trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol
CID 102731430
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
2-(cyclopropylmethylamino)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782237
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
3-(2-cyclohexylcyclopropyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398738
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 75437494
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97330875
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea (CID 109398834) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea is CN(CC1CCCC1O)C(=O)NCC1(C)CCCO1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea?
The InChIKey is ZESNEBMSRLPORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(7-4-8-19-14)10-15-13(18)16(2)9-11-5-3-6-12(11)17/h11-12,17H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea has a molecular weight of 270.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea is sourced from PubChem (CID 109398834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).