tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate

C20H27FN2O2 — CID 89431980

IUPACtert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate
SMILESCCCn1c2c(c3cc(F)ccc31)C[C@@H](NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C20H27FN2O2/c1-5-10-23-17-8-6-13(21)11-15(17)16-12-14(7-9-18(16)23)22-19(24)25-20(2,3)4/h6,8,11,14H,5,7,9-10,12H2,1-4H3,(H,22,24)/t14-/m0/s1
InChIKeyBPPAPGUUPKMNDB-AWEZNQCLSA-N
MW346.45 g/mol
LogP4.57
Rot. Bonds3

About tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate

tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate (PubChem CID 89431980) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate
PubChem CID89431980
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Nametert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate
SMILESCCCn1c2c(c3cc(F)ccc31)C[C@@H](NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C20H27FN2O2/c1-5-10-23-17-8-6-13(21)11-15(17)16-12-14(7-9-18(16)23)22-19(24)25-20(2,3)4/h6,8,11,14H,5,7,9-10,12H2,1-4H3,(H,22,24)/t14-/m0/s1
InChIKeyBPPAPGUUPKMNDB-AWEZNQCLSA-N
XLogP4.57
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

Luzindole
CID 122162
3-Acetamido-9-ethylcarbazole
CID 249414
Methyl {3-[2-(Acetylamino)ethyl]-2-Iodo-1h-Indol-5-Yl}carbamate
CID 10092427
N-(9-ethyl-9H-carbazol-3-yl)-2-methylpropanamide
CID 1717915
N-(2,3,4,9-Tetrahydro-1H-carbazol-3-YL)acetamide
CID 12361788
2-Dimethylamino-N-(9-ethyl-9H-carbazol-3-yl)-acetamide
CID 9922187
N-(9-ethyl-9H-carbazol-3-yl)-2,2,2-trifluoroacetamide
CID 2226619
tert-butyl 2-{4-[2-(methylcarbamoyl)ethyl]phenyl}-1H-indole-1-carboxylate
CID 25190811
N-[2-(2-phenylindol-1-yl)ethyl]propanamide
CID 10493872
ethyl (2E)-2-{[1-(4-fluorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6878918
N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide
CID 10565013
N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10611106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate (CID 89431980) is tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate is CCCn1c2c(c3cc(F)ccc31)C[C@@H](NC(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate?
The InChIKey is BPPAPGUUPKMNDB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-5-10-23-17-8-6-13(21)11-15(17)16-12-14(7-9-18(16)23)22-19(24)25-20(2,3)4/h6,8,11,14H,5,7,9-10,12H2,1-4H3,(H,22,24)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate?
tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate has a molecular weight of 346.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate is sourced from PubChem (CID 89431980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).