tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate

C26H38N2O3 — CID 134315279

IUPACtert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc(N)c(OC(C)C)cc1C1=CC(C2CC2)N(C(=O)OC(C)(C)C)C(C2CC2)C1
InChIInChI=1S/C26H38N2O3/c1-15(2)30-24-14-20(16(3)11-21(24)27)19-12-22(17-7-8-17)28(23(13-19)18-9-10-18)25(29)31-26(4,5)6/h11-12,14-15,17-18,22-23H,7-10,13,27H2,1-6H3
InChIKeyRVASPKHZSNZTIZ-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.95
Rot. Bonds5

About tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 134315279) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID134315279
Molecular FormulaC26H38N2O3
Molecular Weight426.60 g/mol
Exact Mass426.29
IUPAC Nametert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc(N)c(OC(C)C)cc1C1=CC(C2CC2)N(C(=O)OC(C)(C)C)C(C2CC2)C1
InChIInChI=1S/C26H38N2O3/c1-15(2)30-24-14-20(16(3)11-21(24)27)19-12-22(17-7-8-17)28(23(13-19)18-9-10-18)25(29)31-26(4,5)6/h11-12,14-15,17-18,22-23H,7-10,13,27H2,1-6H3
InChIKeyRVASPKHZSNZTIZ-UHFFFAOYSA-N
XLogP5.95
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175227280
tert-butyl (2S,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138678701
tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methanol
CID 145172703
tert-butyl (2S,6S)-4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155219980
5-methyl-2-propan-2-yloxy-4-[(2S,6R)-1,2,6-trimethyl-3,6-dihydro-2H-pyridin-4-yl]aniline
CID 138678718
tert-butyl (2S,6R)-2,6-dimethyl-4-(2-methyl-4-nitro-5-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138678730
tert-butyl 3-(4-amino-5-cyclopropyloxy-2-methylphenyl)-2,5-dihydropyrrole-1-carboxylate
CID 130374887
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)-2,6-dimethylpiperidine-1-carboxylate
CID 118936164
tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate
CID 166536702
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
CID 145172719
tert-butyl 3-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171972514
tert-butyl 4-[5-(2-deuteriopropan-2-yloxy)-2-methyl-4-nitrophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(2-deuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylaniline
CID 159218997

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 134315279) is tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1cc(N)c(OC(C)C)cc1C1=CC(C2CC2)N(C(=O)OC(C)(C)C)C(C2CC2)C1.
What is the InChIKey of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is RVASPKHZSNZTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3/c1-15(2)30-24-14-20(16(3)11-21(24)27)19-12-22(17-7-8-17)28(23(13-19)18-9-10-18)25(29)31-26(4,5)6/h11-12,14-15,17-18,22-23H,7-10,13,27H2,1-6H3.
What are the key properties of tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 426.60 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134315279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).