phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate

C17H16N2O3 — CID 54087633

IUPACphenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate
SMILESCC1(C)C(=O)Nc2cc(NC(=O)Oc3ccccc3)ccc21
InChIInChI=1S/C17H16N2O3/c1-17(2)13-9-8-11(10-14(13)19-15(17)20)18-16(21)22-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,21)(H,19,20)
InChIKeyMRPCKYWPLOEBQR-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.53
Rot. Bonds2

About phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate

phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate (PubChem CID 54087633) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate
PubChem CID54087633
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namephenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate
SMILESCC1(C)C(=O)Nc2cc(NC(=O)Oc3ccccc3)ccc21
InChIInChI=1S/C17H16N2O3/c1-17(2)13-9-8-11(10-14(13)19-15(17)20)18-16(21)22-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,21)(H,19,20)
InChIKeyMRPCKYWPLOEBQR-UHFFFAOYSA-N
XLogP3.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate?
The IUPAC name of phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate (CID 54087633) is phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate.
What is the SMILES notation for phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate?
The canonical SMILES for phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate is CC1(C)C(=O)Nc2cc(NC(=O)Oc3ccccc3)ccc21.
What is the InChIKey of phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate?
The InChIKey is MRPCKYWPLOEBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-17(2)13-9-8-11(10-14(13)19-15(17)20)18-16(21)22-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate?
phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate has a molecular weight of 296.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate is sourced from PubChem (CID 54087633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).