ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate

C25H32N2O5 — CID 19024057

IUPACethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate
SMILESCCOC(=O)COc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)Nc1cc(C)cc(C)n1)O2
InChIInChI=1S/C25H32N2O5/c1-8-30-21(28)13-31-22-16(4)17(5)23-19(18(22)6)9-10-25(7,32-23)24(29)27-20-12-14(2)11-15(3)26-20/h11-12H,8-10,13H2,1-7H3,(H,26,27,29)
InChIKeyIKIGNSHSBGSJOE-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.29
Rot. Bonds6

About ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate

ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate (PubChem CID 19024057) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate
PubChem CID19024057
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Nameethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate
SMILESCCOC(=O)COc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)Nc1cc(C)cc(C)n1)O2
InChIInChI=1S/C25H32N2O5/c1-8-30-21(28)13-31-22-16(4)17(5)23-19(18(22)6)9-10-25(7,32-23)24(29)27-20-12-14(2)11-15(3)26-20/h11-12H,8-10,13H2,1-7H3,(H,26,27,29)
InChIKeyIKIGNSHSBGSJOE-UHFFFAOYSA-N
XLogP4.29
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate (CID 19024057) is ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate is CCOC(=O)COc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)Nc1cc(C)cc(C)n1)O2.
What is the InChIKey of ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate?
The InChIKey is IKIGNSHSBGSJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-8-30-21(28)13-31-22-16(4)17(5)23-19(18(22)6)9-10-25(7,32-23)24(29)27-20-12-14(2)11-15(3)26-20/h11-12H,8-10,13H2,1-7H3,(H,26,27,29).
What are the key properties of ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate?
ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate has a molecular weight of 440.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]acetate is sourced from PubChem (CID 19024057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).