propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate

C13H20N2O2 — CID 54940295

IUPACpropan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
SMILESCCN(CC(=O)OC(C)C)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-4-15(10-13(16)17-11(2)3)9-12-5-7-14-8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyMPXOSACIQPYPJS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.86
Rot. Bonds6

About propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate

propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate (PubChem CID 54940295) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
PubChem CID54940295
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Namepropan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
SMILESCCN(CC(=O)OC(C)C)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-4-15(10-13(16)17-11(2)3)9-12-5-7-14-8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyMPXOSACIQPYPJS-UHFFFAOYSA-N
XLogP1.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 62052112
propan-2-yl 2-(pyridin-4-ylmethoxy)acetate
CID 83213799
propan-2-yl 4-pyridin-4-ylbutanoate
CID 159454853
N-ethyl-2-methylidene-N'-propan-2-yl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 103069837
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
CID 55213852
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate
CID 95347808
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62052291
1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052106

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate (CID 54940295) is propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate is CCN(CC(=O)OC(C)C)Cc1ccncc1.
What is the InChIKey of propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate?
The InChIKey is MPXOSACIQPYPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15(10-13(16)17-11(2)3)9-12-5-7-14-8-6-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate?
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate has a molecular weight of 236.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate is sourced from PubChem (CID 54940295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).