1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea

C23H29FN2O3 — CID 86893073

IUPAC1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea
SMILESCCN(CC1CCCO1)C(=O)NC(C)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H29FN2O3/c1-3-26(15-22-5-4-14-28-22)23(27)25-17(2)19-8-12-21(13-9-19)29-16-18-6-10-20(24)11-7-18/h6-13,17,22H,3-5,14-16H2,1-2H3,(H,25,27)
InChIKeyCGEOIRDTKZBYRG-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.68
Rot. Bonds8

About 1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea

1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea (PubChem CID 86893073) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea
PubChem CID86893073
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea
SMILESCCN(CC1CCCO1)C(=O)NC(C)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H29FN2O3/c1-3-26(15-22-5-4-14-28-22)23(27)25-17(2)19-8-12-21(13-9-19)29-16-18-6-10-20(24)11-7-18/h6-13,17,22H,3-5,14-16H2,1-2H3,(H,25,27)
InChIKeyCGEOIRDTKZBYRG-UHFFFAOYSA-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-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea with MolForge

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Related Compounds

1-ethyl-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95968273
3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 122150742
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317321
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45199675
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951
1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95969128
N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42387343
1-methyl-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95568822
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea (CID 86893073) is 1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea is CCN(CC1CCCO1)C(=O)NC(C)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea?
The InChIKey is CGEOIRDTKZBYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-3-26(15-22-5-4-14-28-22)23(27)25-17(2)19-8-12-21(13-9-19)29-16-18-6-10-20(24)11-7-18/h6-13,17,22H,3-5,14-16H2,1-2H3,(H,25,27).
What are the key properties of 1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea?
1-ethyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)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-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 86893073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).