tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate

C23H28F2N2O4 — CID 167780378

IUPACtert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate
SMILESC[C@@H](NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C23H28F2N2O4/c1-15(16-9-11-18(12-10-16)30-21(24)25)27-20(28)19-8-6-5-7-17(19)13-14-26-22(29)31-23(2,3)4/h5-12,15,21H,13-14H2,1-4H3,(H,26,29)(H,27,28)/t15-/m1/s1
InChIKeySVTOMZOUQBOKGX-OAHLLOKOSA-N
MW434.48 g/mol
LogP4.85
Rot. Bonds8

About tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate

tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate (PubChem CID 167780378) has the molecular formula C23H28F2N2O4 and a molecular weight of 434.48 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate
PubChem CID167780378
Molecular FormulaC23H28F2N2O4
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC Nametert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate
SMILESC[C@@H](NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C23H28F2N2O4/c1-15(16-9-11-18(12-10-16)30-21(24)25)27-20(28)19-8-6-5-7-17(19)13-14-26-22(29)31-23(2,3)4/h5-12,15,21H,13-14H2,1-4H3,(H,26,29)(H,27,28)/t15-/m1/s1
InChIKeySVTOMZOUQBOKGX-OAHLLOKOSA-N
XLogP4.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
CID 167869396
tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
CID 167890398
tert-butyl N-[2-[2-[[(1R)-1-(4-cyanophenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
CID 167894250
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 60566958
N-[1-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 46763830
tert-butyl N-[2-[2-[(E,4S)-4-hydroxypent-2-en-2-yl]phenyl]ethyl]carbamate
CID 102483419
tert-butyl N-[2-[[2-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoyl]phenyl]methylamino]-2-oxoethyl]carbamate
CID 170337687
tert-butyl N-[[2-[1-(2-hydroxy-5-methoxyphenyl)ethylcarbamoyl]phenyl]methyl]carbamate
CID 167888687
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
(2S)-2-[4-(difluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 2341952
tert-butyl N-[[2-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]-6-fluorophenyl]methyl]carbamate
CID 167936482

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate (CID 167780378) is tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate is C[C@@H](NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C)c1ccc(OC(F)F)cc1.
What is the InChIKey of tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate?
The InChIKey is SVTOMZOUQBOKGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28F2N2O4/c1-15(16-9-11-18(12-10-16)30-21(24)25)27-20(28)19-8-6-5-7-17(19)13-14-26-22(29)31-23(2,3)4/h5-12,15,21H,13-14H2,1-4H3,(H,26,29)(H,27,28)/t15-/m1/s1.
What are the key properties of tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate?
tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate has a molecular weight of 434.48 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]ethyl]carbamate is sourced from PubChem (CID 167780378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).