tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate

C25H32FN3O4 — CID 24546172

IUPACtert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C25H32FN3O4/c1-25(2,3)33-24(31)28-16-18-4-6-20(7-5-18)23(30)27-17-22(29-12-14-32-15-13-29)19-8-10-21(26)11-9-19/h4-11,22H,12-17H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyFBVGSIOTDWQTFB-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.65
Rot. Bonds7

About tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate (PubChem CID 24546172) has the molecular formula C25H32FN3O4 and a molecular weight of 457.55 g/mol. Its IUPAC name is tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate
PubChem CID24546172
Molecular FormulaC25H32FN3O4
Molecular Weight457.55 g/mol
Exact Mass457.24
IUPAC Nametert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C25H32FN3O4/c1-25(2,3)33-24(31)28-16-18-4-6-20(7-5-18)23(30)27-17-22(29-12-14-32-15-13-29)19-8-10-21(26)11-9-19/h4-11,22H,12-17H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyFBVGSIOTDWQTFB-UHFFFAOYSA-N
XLogP3.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzamide
CID 43003559
4-tert-butyl-N-[3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 27810065
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8008909
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
2,2-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 3673625
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate (CID 24546172) is tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate?
The InChIKey is FBVGSIOTDWQTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O4/c1-25(2,3)33-24(31)28-16-18-4-6-20(7-5-18)23(30)27-17-22(29-12-14-32-15-13-29)19-8-10-21(26)11-9-19/h4-11,22H,12-17H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate has a molecular weight of 457.55 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 24546172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).