tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate

C15H22N2O3 — CID 159313712

IUPACtert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate
SMILESCCc1ccc(CC(=O)CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H22N2O3/c1-5-12-7-6-11(9-16-12)8-13(18)10-17-14(19)20-15(2,3)4/h6-7,9H,5,8,10H2,1-4H3,(H,17,19)
InChIKeyLCWFTBXXQPAZPX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.28
Rot. Bonds5

About tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate

tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate (PubChem CID 159313712) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate
PubChem CID159313712
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate
SMILESCCc1ccc(CC(=O)CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H22N2O3/c1-5-12-7-6-11(9-16-12)8-13(18)10-17-14(19)20-15(2,3)4/h6-7,9H,5,8,10H2,1-4H3,(H,17,19)
InChIKeyLCWFTBXXQPAZPX-UHFFFAOYSA-N
XLogP2.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate
CID 159769614
tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate
CID 59029475
tert-butyl N-[3-(3-methylphenyl)-2-oxopropyl]carbamate
CID 59029479
tert-butyl N-[3-(3-chlorophenyl)-2-oxopropyl]carbamate
CID 59029504
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906
ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen
CID 156799245
tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate
CID 174275722
tert-butyl 2-[6-(cyanomethyl)-3-pyridinyl]acetate
CID 75406742

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate (CID 159313712) is tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate is CCc1ccc(CC(=O)CNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate?
The InChIKey is LCWFTBXXQPAZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-12-7-6-11(9-16-12)8-13(18)10-17-14(19)20-15(2,3)4/h6-7,9H,5,8,10H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate?
tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate is sourced from PubChem (CID 159313712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).