tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate

C25H36N2O3 — CID 160667487

IUPACtert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate
SMILESCC(C)CC1C2=C(CCN1C(=O)CCCNC(=O)OC(C)(C)C)c1ccccc1C2
InChIInChI=1S/C25H36N2O3/c1-17(2)15-22-21-16-18-9-6-7-10-19(18)20(21)12-14-27(22)23(28)11-8-13-26-24(29)30-25(3,4)5/h6-7,9-10,17,22H,8,11-16H2,1-5H3,(H,26,29)
InChIKeyFZOVGJJXCZHXNV-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.95
Rot. Bonds6

About tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate

tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate (PubChem CID 160667487) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate
PubChem CID160667487
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Nametert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate
SMILESCC(C)CC1C2=C(CCN1C(=O)CCCNC(=O)OC(C)(C)C)c1ccccc1C2
InChIInChI=1S/C25H36N2O3/c1-17(2)15-22-21-16-18-9-6-7-10-19(18)20(21)12-14-27(22)23(28)11-8-13-26-24(29)30-25(3,4)5/h6-7,9-10,17,22H,8,11-16H2,1-5H3,(H,26,29)
InChIKeyFZOVGJJXCZHXNV-UHFFFAOYSA-N
XLogP4.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-oxo-2-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate
CID 158764252
tert-butyl N-[5-[1-(4-cyanophenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-5-oxopentyl]carbamate
CID 157242095
tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate
CID 158131134
tert-butyl N-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]carbamate
CID 51217085
tert-butyl N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamate
CID 110456704
3,5,5-trimethyl-1-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)hexan-1-one
CID 161142847
tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate
CID 162236130
tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
CID 67102250
tert-butyl N-[3-[[N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111885813
tert-butyl N-[2-[[N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111560237
tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate
CID 170491424
tert-butyl N-[4-oxo-4-[[(2S)-2-phenylpropyl]amino]butyl]carbamate
CID 9427328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate (CID 160667487) is tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate is CC(C)CC1C2=C(CCN1C(=O)CCCNC(=O)OC(C)(C)C)c1ccccc1C2.
What is the InChIKey of tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate?
The InChIKey is FZOVGJJXCZHXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-17(2)15-22-21-16-18-9-6-7-10-19(18)20(21)12-14-27(22)23(28)11-8-13-26-24(29)30-25(3,4)5/h6-7,9-10,17,22H,8,11-16H2,1-5H3,(H,26,29).
What are the key properties of tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate?
tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate has a molecular weight of 412.57 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-4-oxobutyl]carbamate is sourced from PubChem (CID 160667487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).