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

C19H24N2O3 — CID 163299765

IUPACtert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate
SMILESCCc1cccc(C(O)c2ccc(NC(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C19H24N2O3/c1-5-14-7-6-8-16(20-14)17(22)13-9-11-15(12-10-13)21-18(23)24-19(2,3)4/h6-12,17,22H,5H2,1-4H3,(H,21,23)
InChIKeyZRMZESAPYACUDT-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.07
Rot. Bonds4

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

tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate (PubChem CID 163299765) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate
PubChem CID163299765
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate
SMILESCCc1cccc(C(O)c2ccc(NC(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C19H24N2O3/c1-5-14-7-6-8-16(20-14)17(22)13-9-11-15(12-10-13)21-18(23)24-19(2,3)4/h6-12,17,22H,5H2,1-4H3,(H,21,23)
InChIKeyZRMZESAPYACUDT-UHFFFAOYSA-N
XLogP4.07
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-methoxymethyl]phenyl]carbamate
CID 167071661
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
CID 155206873
methyl 6-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-methylsulfonyloxymethyl]pyridine-2-carboxylate
CID 163299848
tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate
CID 155571892
tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168596980
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
methyl 3-(diethylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
CID 101356132
tert-butyl N-[4-(2-chloroacetyl)phenyl]carbamate
CID 74788467
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate (CID 163299765) is tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate is CCc1cccc(C(O)c2ccc(NC(=O)OC(C)(C)C)cc2)n1.
What is the InChIKey of tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate?
The InChIKey is ZRMZESAPYACUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-14-7-6-8-16(20-14)17(22)13-9-11-15(12-10-13)21-18(23)24-19(2,3)4/h6-12,17,22H,5H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate?
tert-butyl N-[4-[(6-ethyl-2-pyridinyl)-hydroxymethyl]phenyl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 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)-hydroxymethyl]phenyl]carbamate is sourced from PubChem (CID 163299765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).