1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea

C17H24N2O2 — CID 110676481

IUPAC1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea
SMILESO=C(NCC1CCCO1)NC1(c2ccccc2)CCCC1
InChIInChI=1S/C17H24N2O2/c20-16(18-13-15-9-6-12-21-15)19-17(10-4-5-11-17)14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2,(H2,18,19,20)
InChIKeyNNBIQFXJQNTGTD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.93
Rot. Bonds4

About 1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea

1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea (PubChem CID 110676481) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea
PubChem CID110676481
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea
SMILESO=C(NCC1CCCO1)NC1(c2ccccc2)CCCC1
InChIInChI=1S/C17H24N2O2/c20-16(18-13-15-9-6-12-21-15)19-17(10-4-5-11-17)14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2,(H2,18,19,20)
InChIKeyNNBIQFXJQNTGTD-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea
CID 110490951
1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 7441648
(1S)-N-[[(2R)-oxolan-2-yl]methyl]-2,2-diphenylcyclopropane-1-carboxamide
CID 950605
N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 133262290
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 91812758
1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
CID 16786304
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 96538281

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea (CID 110676481) is 1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea is O=C(NCC1CCCO1)NC1(c2ccccc2)CCCC1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea?
The InChIKey is NNBIQFXJQNTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16(18-13-15-9-6-12-21-15)19-17(10-4-5-11-17)14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2,(H2,18,19,20).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea?
1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea has a molecular weight of 288.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea is sourced from PubChem (CID 110676481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).