[(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate

C25H27NO2 — CID 54267856

IUPAC[(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate
SMILESCC(c1ccccc1)N(C(=O)O[C@@H](C)c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-19(22-13-7-4-8-14-22)26(20(2)23-15-9-5-10-16-23)25(27)28-21(3)24-17-11-6-12-18-24/h4-21H,1-3H3/t19?,20?,21-/m0/s1
InChIKeyRIAGJCAXPOROGN-CBNMVNINSA-N
MW373.50 g/mol
LogP6.71
Rot. Bonds6

About [(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate

[(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate (PubChem CID 54267856) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate
PubChem CID54267856
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name[(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate
SMILESCC(c1ccccc1)N(C(=O)O[C@@H](C)c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-19(22-13-7-4-8-14-22)26(20(2)23-15-9-5-10-16-23)25(27)28-21(3)24-17-11-6-12-18-24/h4-21H,1-3H3/t19?,20?,21-/m0/s1
InChIKeyRIAGJCAXPOROGN-CBNMVNINSA-N
XLogP6.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate?
The IUPAC name of [(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate (CID 54267856) is [(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate.
What is the SMILES notation for [(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate?
The canonical SMILES for [(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate is CC(c1ccccc1)N(C(=O)O[C@@H](C)c1ccccc1)C(C)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate?
The InChIKey is RIAGJCAXPOROGN-CBNMVNINSA-N. The full InChI is InChI=1S/C25H27NO2/c1-19(22-13-7-4-8-14-22)26(20(2)23-15-9-5-10-16-23)25(27)28-21(3)24-17-11-6-12-18-24/h4-21H,1-3H3/t19?,20?,21-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate?
[(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate has a molecular weight of 373.50 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] N,N-bis(1-phenylethyl)carbamate is sourced from PubChem (CID 54267856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).