tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate

C24H30F2N2O4 — CID 70098150

IUPACtert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(CCCO)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H30F2N2O4/c1-23(2,3)32-22(31)27-15-21(30)28-16-24(13-4-14-29,17-5-9-19(25)10-6-17)18-7-11-20(26)12-8-18/h5-12,29H,4,13-16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyKKRPNNFHVYWDMG-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.66
Rot. Bonds9

About tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate (PubChem CID 70098150) has the molecular formula C24H30F2N2O4 and a molecular weight of 448.51 g/mol. Its IUPAC name is tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate
PubChem CID70098150
Molecular FormulaC24H30F2N2O4
Molecular Weight448.51 g/mol
Exact Mass448.22
IUPAC Nametert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(CCCO)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H30F2N2O4/c1-23(2,3)32-22(31)27-15-21(30)28-16-24(13-4-14-29,17-5-9-19(25)10-6-17)18-7-11-20(26)12-8-18/h5-12,29H,4,13-16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyKKRPNNFHVYWDMG-UHFFFAOYSA-N
XLogP3.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-[(5-hydroxy-2,2-diphenylpentyl)amino]-2-oxoethyl]carbamate
CID 70101432
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tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
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tert-butyl N-[2-(4-fluorophenyl)-2-(hydroxymethyl)-4-methylpentyl]carbamate
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tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
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tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
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tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
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tert-butyl N-[2-[3-[[2-(2-fluorophenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918808
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]carbamoyl]benzoic acid
CID 141383624
tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate (CID 70098150) is tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCC(CCCO)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate?
The InChIKey is KKRPNNFHVYWDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O4/c1-23(2,3)32-22(31)27-15-21(30)28-16-24(13-4-14-29,17-5-9-19(25)10-6-17)18-7-11-20(26)12-8-18/h5-12,29H,4,13-16H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate has a molecular weight of 448.51 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2,2-bis(4-fluorophenyl)-5-hydroxypentyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 70098150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).