(2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate

C17H19NO2 — CID 585086

IUPAC(2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate
SMILESCc1ccc(C(C)C)cc1OC(=O)Nc1ccccc1
InChIInChI=1S/C17H19NO2/c1-12(2)14-10-9-13(3)16(11-14)20-17(19)18-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,18,19)
InChIKeyPXNIAKKTSIVKRD-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.73
Rot. Bonds3

About (2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate

(2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate (PubChem CID 585086) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate
PubChem CID585086
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate
SMILESCc1ccc(C(C)C)cc1OC(=O)Nc1ccccc1
InChIInChI=1S/C17H19NO2/c1-12(2)14-10-9-13(3)16(11-14)20-17(19)18-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,18,19)
InChIKeyPXNIAKKTSIVKRD-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate?
The IUPAC name of (2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate (CID 585086) is (2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate.
What is the SMILES notation for (2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate?
The canonical SMILES for (2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate is Cc1ccc(C(C)C)cc1OC(=O)Nc1ccccc1.
What is the InChIKey of (2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate?
The InChIKey is PXNIAKKTSIVKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(2)14-10-9-13(3)16(11-14)20-17(19)18-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,18,19).
What are the key properties of (2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate?
(2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate has a molecular weight of 269.34 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylphenyl) N-phenylcarbamate is sourced from PubChem (CID 585086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).