1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea

C23H29FN2O3 — CID 52505168

IUPAC1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea
SMILESCCN(C(=O)NCc1cccc(OC[C@H]2CCCO2)c1)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O3/c1-3-26(17(2)19-9-11-20(24)12-10-19)23(27)25-15-18-6-4-7-21(14-18)29-16-22-8-5-13-28-22/h4,6-7,9-12,14,17,22H,3,5,8,13,15-16H2,1-2H3,(H,25,27)/t17-,22+/m0/s1
InChIKeyOFKCGBQORNBDEV-HTAPYJJXSA-N
MW400.49 g/mol
LogP4.68
Rot. Bonds8

About 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea

1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea (PubChem CID 52505168) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea
PubChem CID52505168
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea
SMILESCCN(C(=O)NCc1cccc(OC[C@H]2CCCO2)c1)[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O3/c1-3-26(17(2)19-9-11-20(24)12-10-19)23(27)25-15-18-6-4-7-21(14-18)29-16-22-8-5-13-28-22/h4,6-7,9-12,14,17,22H,3,5,8,13,15-16H2,1-2H3,(H,25,27)/t17-,22+/m0/s1
InChIKeyOFKCGBQORNBDEV-HTAPYJJXSA-N
XLogP4.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 134026942
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 94615559
1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide
CID 94817888
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802595
1-tert-butyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 51122526
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961557
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 46420143

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea?
The IUPAC name of 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea (CID 52505168) is 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea.
What is the SMILES notation for 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea?
The canonical SMILES for 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea is CCN(C(=O)NCc1cccc(OC[C@H]2CCCO2)c1)[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea?
The InChIKey is OFKCGBQORNBDEV-HTAPYJJXSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-3-26(17(2)19-9-11-20(24)12-10-19)23(27)25-15-18-6-4-7-21(14-18)29-16-22-8-5-13-28-22/h4,6-7,9-12,14,17,22H,3,5,8,13,15-16H2,1-2H3,(H,25,27)/t17-,22+/m0/s1.
What are the key properties of 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea?
1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea has a molecular weight of 400.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea is sourced from PubChem (CID 52505168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).