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

C25H34N2O4 — CID 19024035

IUPAC[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate
SMILESCCOC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCNc1cc(C)cc(C)n1)O2
InChIInChI=1S/C25H34N2O4/c1-8-29-24(28)30-22-17(4)18(5)23-20(19(22)6)9-10-25(7,31-23)11-12-26-21-14-15(2)13-16(3)27-21/h13-14H,8-12H2,1-7H3,(H,26,27)
InChIKeyBFFIPGHNBATPAN-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.74
Rot. Bonds6

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

[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate (PubChem CID 19024035) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate.

Molecular Properties

Compound Name[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate
PubChem CID19024035
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate
SMILESCCOC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCNc1cc(C)cc(C)n1)O2
InChIInChI=1S/C25H34N2O4/c1-8-29-24(28)30-22-17(4)18(5)23-20(19(22)6)9-10-25(7,31-23)11-12-26-21-14-15(2)13-16(3)27-21/h13-14H,8-12H2,1-7H3,(H,26,27)
InChIKeyBFFIPGHNBATPAN-UHFFFAOYSA-N
XLogP5.74
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.74
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]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate?
The IUPAC name of [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate (CID 19024035) is [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-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]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate?
The canonical SMILES for [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate is CCOC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCNc1cc(C)cc(C)n1)O2.
What is the InChIKey of [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate?
The InChIKey is BFFIPGHNBATPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-8-29-24(28)30-22-17(4)18(5)23-20(19(22)6)9-10-25(7,31-23)11-12-26-21-14-15(2)13-16(3)27-21/h13-14H,8-12H2,1-7H3,(H,26,27).
What are the key properties of [2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate?
[2-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate has a molecular weight of 426.56 g/mol, XLogP of 5.74, 6 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]ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] ethyl carbonate is sourced from PubChem (CID 19024035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).