tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate

C20H26N2O3 — CID 167071661

IUPACtert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate
SMILESCCc1cccc(C(OC)c2ccc(NC(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C20H26N2O3/c1-6-15-8-7-9-17(21-15)18(24-5)14-10-12-16(13-11-14)22-19(23)25-20(2,3)4/h7-13,18H,6H2,1-5H3,(H,22,23)
InChIKeyGVAQFCJMAQBDJW-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.73
Rot. Bonds5

About tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate

tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate (PubChem CID 167071661) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate
PubChem CID167071661
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nametert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate
SMILESCCc1cccc(C(OC)c2ccc(NC(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C20H26N2O3/c1-6-15-8-7-9-17(21-15)18(24-5)14-10-12-16(13-11-14)22-19(23)25-20(2,3)4/h7-13,18H,6H2,1-5H3,(H,22,23)
InChIKeyGVAQFCJMAQBDJW-UHFFFAOYSA-N
XLogP4.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate
CID 163299765
methyl 6-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-methylsulfonyloxymethyl]pyridine-2-carboxylate
CID 163299848
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
CID 101356132
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-oxo-3-pyridin-2-ylpentanoyl]phenyl]carbamate
CID 102519142
tert-butyl N-(4-butanoylphenyl)carbamate
CID 69331401
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168596980
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate
CID 103936121
methyl 2,6-diethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 54107351

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate (CID 167071661) is tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate is CCc1cccc(C(OC)c2ccc(NC(=O)OC(C)(C)C)cc2)n1.
What is the InChIKey of tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate?
The InChIKey is GVAQFCJMAQBDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-6-15-8-7-9-17(21-15)18(24-5)14-10-12-16(13-11-14)22-19(23)25-20(2,3)4/h7-13,18H,6H2,1-5H3,(H,22,23).
What are the key properties of tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate?
tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate has a molecular weight of 342.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate is sourced from PubChem (CID 167071661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).