tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate

C20H22N2O2 — CID 25095631

IUPACtert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)n1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-20(2,3)24-19(23)21(4)22-17-13-9-8-12-16(17)14-18(22)15-10-6-5-7-11-15/h5-14H,1-4H3
InChIKeyBOMMSKMBNOWXAV-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.81
Rot. Bonds2

About tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate

tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate (PubChem CID 25095631) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate
PubChem CID25095631
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Nametert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)n1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-20(2,3)24-19(23)21(4)22-17-13-9-8-12-16(17)14-18(22)15-10-6-5-7-11-15/h5-14H,1-4H3
InChIKeyBOMMSKMBNOWXAV-UHFFFAOYSA-N
XLogP4.81
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-methyl-2-phenylindole-1-carboxylate
CID 118481717
tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
CID 154706702
tert-butyl N-[[5-(1-methylindol-2-yl)-3-pyridinyl]methyl]-N-methylsulfonylcarbamate
CID 58215687
1-ethoxy-2-phenylindole
CID 21443598
N,N,2-trimethyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]propanamide
CID 86899973
tert-butyl 2-phenylpyrrolo[3,2-c]pyridine-1-carboxylate
CID 69193959
tert-butyl 2-hydroxyindole-1-carboxylate
CID 59887114
tert-butyl 2-propan-2-ylindole-1-carboxylate
CID 71120624
tert-butyl 2,3,5-triphenylpyrrole-1-carboxylate
CID 101458521
benzene;1-methyl-2-phenylindole
CID 158316839
tert-butyl 2-[4-(cyanomethyl)phenyl]indole-1-carboxylate
CID 25190804
tert-butyl 2-(furan-2-yl)indole-1-carboxylate
CID 71078189

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate (CID 25095631) is tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate is CN(C(=O)OC(C)(C)C)n1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate?
The InChIKey is BOMMSKMBNOWXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-20(2,3)24-19(23)21(4)22-17-13-9-8-12-16(17)14-18(22)15-10-6-5-7-11-15/h5-14H,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate?
tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate has a molecular weight of 322.41 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-phenylindol-1-yl)carbamate is sourced from PubChem (CID 25095631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).