tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate

C19H20N2O2 — CID 86048174

IUPACtert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)23-18(22)20-15-9-10-16-14(11-15)12-17(21-16)13-7-5-4-6-8-13/h4-12,21H,1-3H3,(H,20,22)
InChIKeyCNZUGUJTBWWMAF-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.18
Rot. Bonds2

About tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate

tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate (PubChem CID 86048174) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate
PubChem CID86048174
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nametert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)23-18(22)20-15-9-10-16-14(11-15)12-17(21-16)13-7-5-4-6-8-13/h4-12,21H,1-3H3,(H,20,22)
InChIKeyCNZUGUJTBWWMAF-UHFFFAOYSA-N
XLogP5.18
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate
CID 83825817
prop-2-enyl N-[2-[4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]phenyl]-1H-indol-5-yl]carbamate
CID 145425051
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
[2-[(2S)-2-[[4-[5-[[(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid
CID 138592241
5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-1H-indole-2-carboxylic acid
CID 175395749
5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-1H-indole-2-carboxylic acid
CID 175395748
tert-butyl N-[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]carbamate
CID 135491912
tert-butyl N-[3-[3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-oxo-4-phenyl-1H-quinolin-6-yl]carbamate
CID 140843192
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
CID 10389580

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate (CID 86048174) is tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate?
The InChIKey is CNZUGUJTBWWMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(2,3)23-18(22)20-15-9-10-16-14(11-15)12-17(21-16)13-7-5-4-6-8-13/h4-12,21H,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate?
tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate has a molecular weight of 308.38 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate is sourced from PubChem (CID 86048174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).