benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane

C21H30N2O3 — CID 143729119

IUPACbenzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane
SMILESCCC.COc1c(C)cnc(CNCC(=O)OCc2ccccc2)c1C
InChIInChI=1S/C18H22N2O3.C3H8/c1-13-9-20-16(14(2)18(13)22-3)10-19-11-17(21)23-12-15-7-5-4-6-8-15;1-3-2/h4-9,19H,10-12H2,1-3H3;3H2,1-2H3
InChIKeyFGIJWGOHDWXTDW-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.96
Rot. Bonds7

About benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane

benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane (PubChem CID 143729119) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane.

Molecular Properties

Compound Namebenzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane
PubChem CID143729119
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Namebenzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane
SMILESCCC.COc1c(C)cnc(CNCC(=O)OCc2ccccc2)c1C
InChIInChI=1S/C18H22N2O3.C3H8/c1-13-9-20-16(14(2)18(13)22-3)10-19-11-17(21)23-12-15-7-5-4-6-8-15;1-3-2/h4-9,19H,10-12H2,1-3H3;3H2,1-2H3
InChIKeyFGIJWGOHDWXTDW-UHFFFAOYSA-N
XLogP3.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane?
The IUPAC name of benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane (CID 143729119) is benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane.
What is the SMILES notation for benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane?
The canonical SMILES for benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane is CCC.COc1c(C)cnc(CNCC(=O)OCc2ccccc2)c1C.
What is the InChIKey of benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane?
The InChIKey is FGIJWGOHDWXTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.C3H8/c1-13-9-20-16(14(2)18(13)22-3)10-19-11-17(21)23-12-15-7-5-4-6-8-15;1-3-2/h4-9,19H,10-12H2,1-3H3;3H2,1-2H3.
What are the key properties of benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane?
benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane has a molecular weight of 358.48 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane is sourced from PubChem (CID 143729119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).