(3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate

C22H23NO2 — CID 132569684

IUPAC(3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate
SMILESCc1cc2c(C(C)C)ccc(C)c2cc1OC(=O)Nc1ccccc1
InChIInChI=1S/C22H23NO2/c1-14(2)18-11-10-15(3)19-13-21(16(4)12-20(18)19)25-22(24)23-17-8-6-5-7-9-17/h5-14H,1-4H3,(H,23,24)
InChIKeyFXVKNXSTSPOTHX-UHFFFAOYSA-N
MW333.43 g/mol
LogP6.19
Rot. Bonds3

About (3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate

(3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate (PubChem CID 132569684) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate
PubChem CID132569684
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate
SMILESCc1cc2c(C(C)C)ccc(C)c2cc1OC(=O)Nc1ccccc1
InChIInChI=1S/C22H23NO2/c1-14(2)18-11-10-15(3)19-13-21(16(4)12-20(18)19)25-22(24)23-17-8-6-5-7-9-17/h5-14H,1-4H3,(H,23,24)
InChIKeyFXVKNXSTSPOTHX-UHFFFAOYSA-N
XLogP6.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate?
The IUPAC name of (3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate (CID 132569684) is (3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate.
What is the SMILES notation for (3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate?
The canonical SMILES for (3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate is Cc1cc2c(C(C)C)ccc(C)c2cc1OC(=O)Nc1ccccc1.
What is the InChIKey of (3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate?
The InChIKey is FXVKNXSTSPOTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-14(2)18-11-10-15(3)19-13-21(16(4)12-20(18)19)25-22(24)23-17-8-6-5-7-9-17/h5-14H,1-4H3,(H,23,24).
What are the key properties of (3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate?
(3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate has a molecular weight of 333.43 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,8-dimethyl-5-propan-2-ylnaphthalen-2-yl) N-phenylcarbamate is sourced from PubChem (CID 132569684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).