tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate

C24H25N3O2 — CID 10091617

IUPACtert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C24H25N3O2/c1-24(2,3)29-23(28)27-20(15-16-9-5-4-6-10-16)22-21-18(13-14-25-22)17-11-7-8-12-19(17)26-21/h4-14,20,26H,15H2,1-3H3,(H,27,28)
InChIKeyCIDFOJRTSUFWBW-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.52
Rot. Bonds4

About tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate

tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate (PubChem CID 10091617) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate
PubChem CID10091617
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Nametert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C24H25N3O2/c1-24(2,3)29-23(28)27-20(15-16-9-5-4-6-10-16)22-21-18(13-14-25-22)17-11-7-8-12-19(17)26-21/h4-14,20,26H,15H2,1-3H3,(H,27,28)
InChIKeyCIDFOJRTSUFWBW-UHFFFAOYSA-N
XLogP5.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(1S)-1-[5-chloro-3-(chloromethyl)-2-pyridinyl]-2-phenylethyl]carbamate
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tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)-2-phenylethyl]carbamate
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tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
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tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate (CID 10091617) is tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate?
The InChIKey is CIDFOJRTSUFWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-24(2,3)29-23(28)27-20(15-16-9-5-4-6-10-16)22-21-18(13-14-25-22)17-11-7-8-12-19(17)26-21/h4-14,20,26H,15H2,1-3H3,(H,27,28).
What are the key properties of tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate?
tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate has a molecular weight of 387.48 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate is sourced from PubChem (CID 10091617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).