tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate

C22H24N2O2 — CID 155485948

IUPACtert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate
SMILESC#Cc1ccc2c3ccc(C)cc3n(CCNC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C22H24N2O2/c1-6-16-8-10-18-17-9-7-15(2)13-19(17)24(20(18)14-16)12-11-23-21(25)26-22(3,4)5/h1,7-10,13-14H,11-12H2,2-5H3,(H,23,25)
InChIKeyHWQPKXGDYDZRTD-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.61
Rot. Bonds3

About tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate

tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate (PubChem CID 155485948) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate
PubChem CID155485948
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Nametert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate
SMILESC#Cc1ccc2c3ccc(C)cc3n(CCNC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C22H24N2O2/c1-6-16-8-10-18-17-9-7-15(2)13-19(17)24(20(18)14-16)12-11-23-21(25)26-22(3,4)5/h1,7-10,13-14H,11-12H2,2-5H3,(H,23,25)
InChIKeyHWQPKXGDYDZRTD-UHFFFAOYSA-N
XLogP4.61
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[(2-chloro-4-ethynylphenyl)methyl]carbamate
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tert-butyl N-[2-(2,6-dimethyl-4-sulfanylidene-1-pyridinyl)ethyl]carbamate
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tert-butyl N-[2-[3,6-bis(3,4-dichloroanilino)carbazol-9-yl]ethyl]carbamate
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tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[4-(4-ethynylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884393
tert-butyl N-[2-[3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-6-methylindol-1-yl]ethyl]carbamate;bis(carbon dioxide);[2-[3-cyclohexyl-6-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-2-yl]phenyl]methyl methanesulfonate
CID 157255238

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate (CID 155485948) is tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate is C#Cc1ccc2c3ccc(C)cc3n(CCNC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate?
The InChIKey is HWQPKXGDYDZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-6-16-8-10-18-17-9-7-15(2)13-19(17)24(20(18)14-16)12-11-23-21(25)26-22(3,4)5/h1,7-10,13-14H,11-12H2,2-5H3,(H,23,25).
What are the key properties of tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate?
tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate has a molecular weight of 348.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-ethynyl-7-methylcarbazol-9-yl)ethyl]carbamate is sourced from PubChem (CID 155485948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).