1-phenylethyl N,N-di(propan-2-yl)carbamate

C15H23NO2 — CID 14784038

IUPAC1-phenylethyl N,N-di(propan-2-yl)carbamate
SMILESCC(OC(=O)N(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-11(2)16(12(3)4)15(17)18-13(5)14-9-7-6-8-10-14/h6-13H,1-5H3
InChIKeyUMOXJGNACZAULT-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.00
Rot. Bonds4

About 1-phenylethyl N,N-di(propan-2-yl)carbamate

1-phenylethyl N,N-di(propan-2-yl)carbamate (PubChem CID 14784038) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-phenylethyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name1-phenylethyl N,N-di(propan-2-yl)carbamate
PubChem CID14784038
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-phenylethyl N,N-di(propan-2-yl)carbamate
SMILESCC(OC(=O)N(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-11(2)16(12(3)4)15(17)18-13(5)14-9-7-6-8-10-14/h6-13H,1-5H3
InChIKeyUMOXJGNACZAULT-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 1-phenylethyl N,N-di(propan-2-yl)carbamate (CID 14784038) is 1-phenylethyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 1-phenylethyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 1-phenylethyl N,N-di(propan-2-yl)carbamate is CC(OC(=O)N(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 1-phenylethyl N,N-di(propan-2-yl)carbamate?
The InChIKey is UMOXJGNACZAULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)16(12(3)4)15(17)18-13(5)14-9-7-6-8-10-14/h6-13H,1-5H3.
What are the key properties of 1-phenylethyl N,N-di(propan-2-yl)carbamate?
1-phenylethyl N,N-di(propan-2-yl)carbamate has a molecular weight of 249.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 14784038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).