tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate

C19H28N2O4 — CID 126827437

IUPACtert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(C(=O)CCc1ccccn1)C1CCOCC1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)14-21(16-9-12-24-13-10-16)17(22)8-7-15-6-4-5-11-20-15/h4-6,11,16H,7-10,12-14H2,1-3H3
InChIKeyJTSHGGHTRKTNNW-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.36
Rot. Bonds6

About tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate

tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate (PubChem CID 126827437) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate
PubChem CID126827437
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nametert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(C(=O)CCc1ccccn1)C1CCOCC1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)14-21(16-9-12-24-13-10-16)17(22)8-7-15-6-4-5-11-20-15/h4-6,11,16H,7-10,12-14H2,1-3H3
InChIKeyJTSHGGHTRKTNNW-UHFFFAOYSA-N
XLogP2.36
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 114290016
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 110389197
N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide
CID 79602844
tert-butyl 3-(pyridin-2-ylmethoxy)propanoate
CID 14833129
tert-butyl (3aS,6aS)-1-(3-pyridin-2-ylpropanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
CID 122152214
tert-butyl 2-[[6-[6-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]acetate
CID 23248044
1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 136567968
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 68885257

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate?
The IUPAC name of tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate (CID 126827437) is tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate is CC(C)(C)OC(=O)CN(C(=O)CCc1ccccn1)C1CCOCC1.
What is the InChIKey of tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate?
The InChIKey is JTSHGGHTRKTNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)14-21(16-9-12-24-13-10-16)17(22)8-7-15-6-4-5-11-20-15/h4-6,11,16H,7-10,12-14H2,1-3H3.
What are the key properties of tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate?
tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate has a molecular weight of 348.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[oxan-4-yl(3-pyridin-2-ylpropanoyl)amino]acetate is sourced from PubChem (CID 126827437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).