tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate

C20H25NO4 — CID 69349615

IUPACtert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate
SMILESCc1nc(OCCOCc2ccccc2)ccc1C(=O)OC(C)(C)C
InChIInChI=1S/C20H25NO4/c1-15-17(19(22)25-20(2,3)4)10-11-18(21-15)24-13-12-23-14-16-8-6-5-7-9-16/h5-11H,12-14H2,1-4H3
InChIKeyNNEXZZMMMUPDLQ-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.94
Rot. Bonds7

About tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate

tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate (PubChem CID 69349615) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate
PubChem CID69349615
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nametert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate
SMILESCc1nc(OCCOCc2ccccc2)ccc1C(=O)OC(C)(C)C
InChIInChI=1S/C20H25NO4/c1-15-17(19(22)25-20(2,3)4)10-11-18(21-15)24-13-12-23-14-16-8-6-5-7-9-16/h5-11H,12-14H2,1-4H3
InChIKeyNNEXZZMMMUPDLQ-UHFFFAOYSA-N
XLogP3.94
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-[2-[2-[2-[2-[3,5-bis[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 86607046
tert-butyl 2-(4-phenylmethoxybutoxy)acetate
CID 176906340
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219
tert-butyl 10-phenylmethoxy-3-(7-phenylmethoxyheptyl)dec-2-enoate
CID 177188889
tert-butyl 2-phenylmethoxy-4-propanoylbenzoate
CID 70815239
ethane;6-phenylmethoxypyridine-2,3-dicarboxylic acid
CID 91075341
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypent-2-enoic acid
CID 66744702
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-(2-phenylmethoxyethyl)carbamate
CID 160954727
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylmethoxyethoxy)phenyl]acetate
CID 175103356

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate?
The IUPAC name of tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate (CID 69349615) is tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate is Cc1nc(OCCOCc2ccccc2)ccc1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate?
The InChIKey is NNEXZZMMMUPDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15-17(19(22)25-20(2,3)4)10-11-18(21-15)24-13-12-23-14-16-8-6-5-7-9-16/h5-11H,12-14H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate?
tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate has a molecular weight of 343.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 69349615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).