tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate

C20H28N2O2 — CID 83984638

IUPACtert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate
SMILESCC(Cc1c[nH]c2cc3c(cc12)CCCC3)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O2/c1-13(22-19(23)24-20(2,3)4)9-16-12-21-18-11-15-8-6-5-7-14(15)10-17(16)18/h10-13,21H,5-9H2,1-4H3,(H,22,23)
InChIKeyUIFDVDXMBHOGSD-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.50
Rot. Bonds3

About tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate

tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate (PubChem CID 83984638) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate
PubChem CID83984638
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Nametert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate
SMILESCC(Cc1c[nH]c2cc3c(cc12)CCCC3)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O2/c1-13(22-19(23)24-20(2,3)4)9-16-12-21-18-11-15-8-6-5-7-14(15)10-17(16)18/h10-13,21H,5-9H2,1-4H3,(H,22,23)
InChIKeyUIFDVDXMBHOGSD-UHFFFAOYSA-N
XLogP4.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-yl]carbamate
CID 83984526
tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 166473311
3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid
CID 174209743
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 139446493
tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate
CID 166473228
N-ethyl-1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-amine
CID 83984528
2-methyl-3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanamide
CID 83984509
2-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-ylmethyl)butanoic acid
CID 83984618
(2S)-3-(5,6-difluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 86643510
butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide
CID 145005816
3-(6-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 23340088
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate (CID 83984638) is tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate is CC(Cc1c[nH]c2cc3c(cc12)CCCC3)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate?
The InChIKey is UIFDVDXMBHOGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13(22-19(23)24-20(2,3)4)9-16-12-21-18-11-15-8-6-5-7-14(15)10-17(16)18/h10-13,21H,5-9H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate has a molecular weight of 328.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 83984638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).