tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate

C16H19ClN2O4 — CID 156896958

IUPACtert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2[nH]c(C(=O)Cl)cc2c1
InChIInChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(21)18-6-7-22-11-4-5-12-10(8-11)9-13(19-12)14(17)20/h4-5,8-9,19H,6-7H2,1-3H3,(H,18,21)
InChIKeyLULVOCCULZGWSL-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.45
Rot. Bonds5

About tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate

tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate (PubChem CID 156896958) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate
PubChem CID156896958
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Nametert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2[nH]c(C(=O)Cl)cc2c1
InChIInChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(21)18-6-7-22-11-4-5-12-10(8-11)9-13(19-12)14(17)20/h4-5,8-9,19H,6-7H2,1-3H3,(H,18,21)
InChIKeyLULVOCCULZGWSL-UHFFFAOYSA-N
XLogP3.45
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-1H-indole-2-carboxylic acid
CID 134272195
tert-butyl N-[2-[6,7-bis(hydroxymethyl)naphthalen-2-yl]oxyethyl]carbamate
CID 122667217
tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate
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tert-butyl N-[2-(4-amino-3-chlorophenoxy)ethyl]carbamate
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tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
tert-butyl N-[2-[4-(hydroxymethyl)phenoxy]ethyl]carbamate
CID 122451762
tert-butyl N-[2-(2-bromoquinazolin-6-yl)oxyethyl]carbamate
CID 86669526
tert-butyl N-[2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]ethyl]carbamate
CID 134180800
2-[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxo-1H-quinolin-3-yl]acetic acid
CID 18462565

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate (CID 156896958) is tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc2[nH]c(C(=O)Cl)cc2c1.
What is the InChIKey of tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate?
The InChIKey is LULVOCCULZGWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(21)18-6-7-22-11-4-5-12-10(8-11)9-13(19-12)14(17)20/h4-5,8-9,19H,6-7H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate?
tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate has a molecular weight of 338.79 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate is sourced from PubChem (CID 156896958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).