(2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate

C22H23NO2 — CID 57330099

IUPAC(2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate
SMILESCC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1
InChIInChI=1S/C22H23NO2/c1-16(2)20-9-5-6-10-21(20)25-22(24)23-14-13-17-11-12-18-7-3-4-8-19(18)15-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,24)
InChIKeyPCNJGBMWAZRVEA-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.29
Rot. Bonds5

About (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate

(2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate (PubChem CID 57330099) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate.

Molecular Properties

Compound Name(2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate
PubChem CID57330099
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate
SMILESCC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1
InChIInChI=1S/C22H23NO2/c1-16(2)20-9-5-6-10-21(20)25-22(24)23-14-13-17-11-12-18-7-3-4-8-19(18)15-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,24)
InChIKeyPCNJGBMWAZRVEA-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate?
The IUPAC name of (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate (CID 57330099) is (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate.
What is the SMILES notation for (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate?
The canonical SMILES for (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate is CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1.
What is the InChIKey of (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate?
The InChIKey is PCNJGBMWAZRVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16(2)20-9-5-6-10-21(20)25-22(24)23-14-13-17-11-12-18-7-3-4-8-19(18)15-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,24).
What are the key properties of (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate?
(2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate has a molecular weight of 333.43 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate is sourced from PubChem (CID 57330099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).