tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate

C19H32N2O3 — CID 164750190

IUPACtert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(=O)NC1CCC(C2=CCC(C)CN2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H32N2O3/c1-13-6-11-17(21(12-13)18(23)24-19(3,4)5)15-7-9-16(10-8-15)20-14(2)22/h11,13,15-16H,6-10,12H2,1-5H3,(H,20,22)
InChIKeyDORUOGRAHFADLA-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.84
Rot. Bonds2

About tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 164750190) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID164750190
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(=O)NC1CCC(C2=CCC(C)CN2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H32N2O3/c1-13-6-11-17(21(12-13)18(23)24-19(3,4)5)15-7-9-16(10-8-15)20-14(2)22/h11,13,15-16H,6-10,12H2,1-5H3,(H,20,22)
InChIKeyDORUOGRAHFADLA-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 164750190) is tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is CC(=O)NC1CCC(C2=CCC(C)CN2C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is DORUOGRAHFADLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-13-6-11-17(21(12-13)18(23)24-19(3,4)5)15-7-9-16(10-8-15)20-14(2)22/h11,13,15-16H,6-10,12H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(4-acetamidocyclohexyl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 164750190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).