[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate

C22H36N2O4 — CID 102588636

IUPAC[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC[C@@H](OC(=O)N(C(C)C)C(C)C)c1ccccc1)C(C)C
InChIInChI=1S/C22H36N2O4/c1-15(2)23(16(3)4)21(25)27-14-20(19-12-10-9-11-13-19)28-22(26)24(17(5)6)18(7)8/h9-13,15-18,20H,14H2,1-8H3/t20-/m1/s1
InChIKeyJHHFSMWBLFFFGR-HXUWFJFHSA-N
MW392.54 g/mol
LogP5.24
Rot. Bonds8

About [(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate

[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate (PubChem CID 102588636) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is [(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate
PubChem CID102588636
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC[C@@H](OC(=O)N(C(C)C)C(C)C)c1ccccc1)C(C)C
InChIInChI=1S/C22H36N2O4/c1-15(2)23(16(3)4)21(25)27-14-20(19-12-10-9-11-13-19)28-22(26)24(17(5)6)18(7)8/h9-13,15-18,20H,14H2,1-8H3/t20-/m1/s1
InChIKeyJHHFSMWBLFFFGR-HXUWFJFHSA-N
XLogP5.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate
CID 154718412
[(E)-1-phenylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 102052023
CID 58090349
CID 58090349
[2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate
CID 102598448
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
(2-butan-2-yloxy-1-phenylethyl) ethyl carbonate
CID 118088530
[(1S)-1-(2-methoxyphenyl)hexyl] N,N-di(propan-2-yl)carbamate
CID 101176545
1-phenylpropyl 2-phenylpropanoate
CID 174489936
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
[(1S)-1-(2-methoxyphenyl)-3,3-dimethylbutyl] N,N-di(propan-2-yl)carbamate
CID 101176549
2-phenylpropyl 2-methylpropanoate
CID 576240
[2-(4-ethylbenzoyl)oxy-2-phenylethyl] 4-ethylbenzoate
CID 19742385

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate (CID 102588636) is [(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OC[C@@H](OC(=O)N(C(C)C)C(C)C)c1ccccc1)C(C)C.
What is the InChIKey of [(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is JHHFSMWBLFFFGR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-15(2)23(16(3)4)21(25)27-14-20(19-12-10-9-11-13-19)28-22(26)24(17(5)6)18(7)8/h9-13,15-18,20H,14H2,1-8H3/t20-/m1/s1.
What are the key properties of [(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate?
[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 392.54 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 102588636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).