tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate

C19H28N2O4 — CID 156862617

IUPACtert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate
SMILESCc1nc(OCCCNC(=O)OC(C)(C)C)c(C)c2c1CC(C=O)C2
InChIInChI=1S/C19H28N2O4/c1-12-15-9-14(11-22)10-16(15)13(2)21-17(12)24-8-6-7-20-18(23)25-19(3,4)5/h11,14H,6-10H2,1-5H3,(H,20,23)
InChIKeyNUYDCVGXTBLPTM-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.91
Rot. Bonds6

About tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate

tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate (PubChem CID 156862617) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate
PubChem CID156862617
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nametert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate
SMILESCc1nc(OCCCNC(=O)OC(C)(C)C)c(C)c2c1CC(C=O)C2
InChIInChI=1S/C19H28N2O4/c1-12-15-9-14(11-22)10-16(15)13(2)21-17(12)24-8-6-7-20-18(23)25-19(3,4)5/h11,14H,6-10H2,1-5H3,(H,20,23)
InChIKeyNUYDCVGXTBLPTM-UHFFFAOYSA-N
XLogP2.91
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[(6-methyl-3-nitro-2-pyridinyl)oxy]propyl]carbamate;carbon dioxide
CID 159405192
tert-butyl N-[3-(2,4,6-trichloropyrimidin-5-yl)oxypropyl]carbamate
CID 176915180
methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
CID 135136562
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane
CID 142077539
diethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2,6-dicarboxylate
CID 67145385
tert-butyl N-(3-formamidooxypropyl)carbamate
CID 146522686
tert-butyl N-[3-[[3-(2-cyanoacetyl)-4-methoxy-2-pyridinyl]oxy]propyl]carbamate
CID 163407470
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
tert-butyl N-[3-[(5-methyl-1H-imidazol-4-yl)methylamino]propyl]carbamate
CID 107241182
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate (CID 156862617) is tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate is Cc1nc(OCCCNC(=O)OC(C)(C)C)c(C)c2c1CC(C=O)C2.
What is the InChIKey of tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate?
The InChIKey is NUYDCVGXTBLPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-12-15-9-14(11-22)10-16(15)13(2)21-17(12)24-8-6-7-20-18(23)25-19(3,4)5/h11,14H,6-10H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate?
tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate has a molecular weight of 348.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(6-formyl-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]propyl]carbamate is sourced from PubChem (CID 156862617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).