3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea

C20H29FN2O2 — CID 86892990

IUPAC3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
SMILESCCN(CC1CCCO1)C(=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C20H29FN2O2/c1-2-23(14-18-8-5-13-25-18)20(24)22-19(15-6-3-4-7-15)16-9-11-17(21)12-10-16/h9-12,15,18-19H,2-8,13-14H2,1H3,(H,22,24)
InChIKeyPDWPPBVLFAKAIR-UHFFFAOYSA-N
MW348.46 g/mol
LogP4.27
Rot. Bonds6

About 3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea

3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea (PubChem CID 86892990) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
PubChem CID86892990
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
SMILESCCN(CC1CCCO1)C(=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C20H29FN2O2/c1-2-23(14-18-8-5-13-25-18)20(24)22-19(15-6-3-4-7-15)16-9-11-17(21)12-10-16/h9-12,15,18-19H,2-8,13-14H2,1H3,(H,22,24)
InChIKeyPDWPPBVLFAKAIR-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-isopropenylphenyl)-1-methylethyl]-N'-(tetrahydro-2-furanylmethyl)urea
CID 2788461
N~2~-{[cyclohexyl(2-fluorobenzyl)amino]carbonothioyl}-N~1~-(tetrahydrofuran-2-ylmethyl)glycinamide
CID 16193390
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 4204658
N~2~-{[cyclohexyl(4-fluorobenzyl)amino]carbonothioyl}-N~1~-(tetrahydrofuran-2-ylmethyl)glycinamide
CID 4380794
2-(4-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 50746900
2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 50746957
1-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536729
1-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536740
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536752
3-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]morpholine-4-carboxamide
CID 84590244
1-[(4-Fluorophenyl)methyl]-3-[(oxolan-3-YL)methyl]-3-propylurea
CID 91905737
(3S,3aR,7aR)-3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboxamide
CID 97408153

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea (CID 86892990) is 3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea is CCN(CC1CCCO1)C(=O)NC(c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea?
The InChIKey is PDWPPBVLFAKAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-2-23(14-18-8-5-13-25-18)20(24)22-19(15-6-3-4-7-15)16-9-11-17(21)12-10-16/h9-12,15,18-19H,2-8,13-14H2,1H3,(H,22,24).
What are the key properties of 3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea?
3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea has a molecular weight of 348.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-(4-fluorophenyl)methyl]-1-ethyl-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 86892990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).