tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate

C18H23N3O3 — CID 118548650

IUPACtert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1c2c(c3ccccc31)C(=O)NCC2
InChIInChI=1S/C18H23N3O3/c1-18(2,3)24-17(23)20-10-11-21-13-7-5-4-6-12(13)15-14(21)8-9-19-16(15)22/h4-7H,8-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyZDZWROWGHYVVOX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate

tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate (PubChem CID 118548650) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate
PubChem CID118548650
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nametert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1c2c(c3ccccc31)C(=O)NCC2
InChIInChI=1S/C18H23N3O3/c1-18(2,3)24-17(23)20-10-11-21-13-7-5-4-6-12(13)15-14(21)8-9-19-16(15)22/h4-7H,8-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyZDZWROWGHYVVOX-UHFFFAOYSA-N
XLogP2.45
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate with MolForge

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Related Compounds

N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
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N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide
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tert-butyl N-[2-(3-iodoindazol-1-yl)ethyl]carbamate
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N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide
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tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
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tert-butyl N-[2-[(1,3-dimethylindol-2-yl)methylamino]ethyl]carbamate
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tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate (CID 118548650) is tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCn1c2c(c3ccccc31)C(=O)NCC2.
What is the InChIKey of tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate?
The InChIKey is ZDZWROWGHYVVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)24-17(23)20-10-11-21-13-7-5-4-6-12(13)15-14(21)8-9-19-16(15)22/h4-7H,8-11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate?
tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate is sourced from PubChem (CID 118548650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).