[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate

C25H32N2O5 — CID 19023957

IUPAC[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate
SMILESCCOC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CC(=O)Nc1cc(C)cc(C)n1)O2
InChIInChI=1S/C25H32N2O5/c1-8-30-24(29)31-22-16(4)17(5)23-19(18(22)6)9-10-25(7,32-23)13-21(28)27-20-12-14(2)11-15(3)26-20/h11-12H,8-10,13H2,1-7H3,(H,26,27,28)
InChIKeyUCEOTQXDWPOUOM-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.27
Rot. Bonds5

About [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate

[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate (PubChem CID 19023957) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate.

Molecular Properties

Compound Name[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate
PubChem CID19023957
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate
SMILESCCOC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CC(=O)Nc1cc(C)cc(C)n1)O2
InChIInChI=1S/C25H32N2O5/c1-8-30-24(29)31-22-16(4)17(5)23-19(18(22)6)9-10-25(7,32-23)13-21(28)27-20-12-14(2)11-15(3)26-20/h11-12H,8-10,13H2,1-7H3,(H,26,27,28)
InChIKeyUCEOTQXDWPOUOM-UHFFFAOYSA-N
XLogP5.27
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate?
The IUPAC name of [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate (CID 19023957) is [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate.
What is the SMILES notation for [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate?
The canonical SMILES for [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate is CCOC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CC(=O)Nc1cc(C)cc(C)n1)O2.
What is the InChIKey of [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate?
The InChIKey is UCEOTQXDWPOUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-8-30-24(29)31-22-16(4)17(5)23-19(18(22)6)9-10-25(7,32-23)13-21(28)27-20-12-14(2)11-15(3)26-20/h11-12H,8-10,13H2,1-7H3,(H,26,27,28).
What are the key properties of [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate?
[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate has a molecular weight of 440.54 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate is sourced from PubChem (CID 19023957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).