1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

C18H27FN2O3 — CID 99107240

IUPAC1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCOc1cccc(F)c1[C@@H](C)NC(=O)NC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C18H27FN2O3/c1-11(2)17-13(8-9-24-17)10-20-18(22)21-12(3)16-14(19)6-5-7-15(16)23-4/h5-7,11-13,17H,8-10H2,1-4H3,(H2,20,21,22)/t12-,13-,17-/m1/s1
InChIKeyQCAKPHCOTLUSGF-PBFPGSCMSA-N
MW338.42 g/mol
LogP3.26
Rot. Bonds6

About 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 99107240) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
PubChem CID99107240
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCOc1cccc(F)c1[C@@H](C)NC(=O)NC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C18H27FN2O3/c1-11(2)17-13(8-9-24-17)10-20-18(22)21-12(3)16-14(19)6-5-7-15(16)23-4/h5-7,11-13,17H,8-10H2,1-4H3,(H2,20,21,22)/t12-,13-,17-/m1/s1
InChIKeyQCAKPHCOTLUSGF-PBFPGSCMSA-N
XLogP3.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71977305
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
4-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003838
1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97221546
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508273
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111505609
1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
CID 97020554
(2R,3S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935110
1-ethyl-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95968273
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
(3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide
CID 95968272

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 99107240) is 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is COc1cccc(F)c1[C@@H](C)NC(=O)NC[C@H]1CCO[C@@H]1C(C)C.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The InChIKey is QCAKPHCOTLUSGF-PBFPGSCMSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-11(2)17-13(8-9-24-17)10-20-18(22)21-12(3)16-14(19)6-5-7-15(16)23-4/h5-7,11-13,17H,8-10H2,1-4H3,(H2,20,21,22)/t12-,13-,17-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 338.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 99107240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).