tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C22H33NO2 — CID 144701462

IUPACtert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC(C)Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1C
InChIInChI=1S/C22H33NO2/c1-7-16(2)14-20-15-19(9-8-17(20)3)18-10-12-23(13-11-18)21(24)25-22(4,5)6/h8-10,15-16H,7,11-14H2,1-6H3
InChIKeyUDTPUKDRDCJWTR-UHFFFAOYSA-N
MW343.51 g/mol
LogP5.61
Rot. Bonds4

About tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 144701462) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID144701462
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Nametert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC(C)Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1C
InChIInChI=1S/C22H33NO2/c1-7-16(2)14-20-15-19(9-8-17(20)3)18-10-12-23(13-11-18)21(24)25-22(4,5)6/h8-10,15-16H,7,11-14H2,1-6H3
InChIKeyUDTPUKDRDCJWTR-UHFFFAOYSA-N
XLogP5.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-(4-ethoxycarbonyl-3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170727423
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
tert-butyl 4-[4-amino-3-[ethyl(oxido)amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163916622
tert-butyl 4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 19705303
tert-butyl 4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 18364827
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-2-(trifluoromethyl)benzoic acid
CID 134159387
tert-butyl 4-(2,3,4-trimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158431338
tert-butyl 4-[3-(2-methoxy-2-oxoethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 86719116
tert-butyl 4-(3-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 166095111
tert-butyl 4-(5-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70915305
tert-butyl 4-[4-(methylcarbamoyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 149339424

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 144701462) is tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CCC(C)Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1C.
What is the InChIKey of tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is UDTPUKDRDCJWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-7-16(2)14-20-15-19(9-8-17(20)3)18-10-12-23(13-11-18)21(24)25-22(4,5)6/h8-10,15-16H,7,11-14H2,1-6H3.
What are the key properties of tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 343.51 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-methyl-3-(2-methylbutyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 144701462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).