1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea

C19H28N2O3 — CID 124840703

IUPAC1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea
SMILESC[C@H](NC(=O)N[C@@H]1CCC[C@H]1Oc1ccccc1)C1CCOCC1
InChIInChI=1S/C19H28N2O3/c1-14(15-10-12-23-13-11-15)20-19(22)21-17-8-5-9-18(17)24-16-6-3-2-4-7-16/h2-4,6-7,14-15,17-18H,5,8-13H2,1H3,(H2,20,21,22)/t14-,17+,18+/m0/s1
InChIKeyKLIBYSNLYYDLCG-BMGDILEWSA-N
MW332.44 g/mol
LogP3.10
Rot. Bonds5

About 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea

1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea (PubChem CID 124840703) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea
PubChem CID124840703
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea
SMILESC[C@H](NC(=O)N[C@@H]1CCC[C@H]1Oc1ccccc1)C1CCOCC1
InChIInChI=1S/C19H28N2O3/c1-14(15-10-12-23-13-11-15)20-19(22)21-17-8-5-9-18(17)24-16-6-3-2-4-7-16/h2-4,6-7,14-15,17-18H,5,8-13H2,1H3,(H2,20,21,22)/t14-,17+,18+/m0/s1
InChIKeyKLIBYSNLYYDLCG-BMGDILEWSA-N
XLogP3.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-[2-(4-fluorophenoxy)ethyl]urea
CID 44054612
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(oxolan-2-ylmethyl)urea
CID 51081502
N-(2-methoxyethyl)-3-(phenoxymethyl)piperidine-1-carboxamide
CID 72009694
N-(2-methoxyethyl)-2-(phenoxymethyl)pyrrolidine-1-carboxamide
CID 72015032
1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 75424041
N,N-dimethyl-4-[2-(2-methylphenoxy)butylamino]piperidine-1-carboxamide
CID 84598363
3-[2-(2-Fluorophenoxy)ethyl]-N-(propan-2-YL)pyrrolidine-1-carboxamide
CID 91909308
3-[2-(4-Fluorophenoxy)ethyl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 91909310
1-(2-Cyanoethyl)-1-cyclohexyl-3-(2-phenoxyethyl)urea
CID 172434909
N-(methylcarbamoyl)-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 172438784
N-((1-isopropylpiperidin-4-yl)methyl)-2-phenoxyacetamide
CID 16895414
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenoxyacetamide
CID 16895602

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea?
The IUPAC name of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea (CID 124840703) is 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea.
What is the SMILES notation for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea?
The canonical SMILES for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea is C[C@H](NC(=O)N[C@@H]1CCC[C@H]1Oc1ccccc1)C1CCOCC1.
What is the InChIKey of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea?
The InChIKey is KLIBYSNLYYDLCG-BMGDILEWSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(15-10-12-23-13-11-15)20-19(22)21-17-8-5-9-18(17)24-16-6-3-2-4-7-16/h2-4,6-7,14-15,17-18H,5,8-13H2,1H3,(H2,20,21,22)/t14-,17+,18+/m0/s1.
What are the key properties of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea?
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea has a molecular weight of 332.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea is sourced from PubChem (CID 124840703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).