phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate

C17H19NO3 — CID 2989242

IUPACphenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate
SMILESCC(C)Oc1ccc(CNC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-13(2)20-16-10-8-14(9-11-16)12-18-17(19)21-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyDPLYFDLIVMMJHJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.76
Rot. Bonds5

About phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate

phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate (PubChem CID 2989242) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate
PubChem CID2989242
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namephenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate
SMILESCC(C)Oc1ccc(CNC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-13(2)20-16-10-8-14(9-11-16)12-18-17(19)21-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyDPLYFDLIVMMJHJ-UHFFFAOYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate?
The IUPAC name of phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate (CID 2989242) is phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate?
The canonical SMILES for phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate is CC(C)Oc1ccc(CNC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate?
The InChIKey is DPLYFDLIVMMJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(2)20-16-10-8-14(9-11-16)12-18-17(19)21-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,18,19).
What are the key properties of phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate?
phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(4-propan-2-yloxyphenyl)methyl]carbamate is sourced from PubChem (CID 2989242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).