tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate

C24H30N2O5 — CID 134432804

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate
SMILESCC(=O)Cc1ccc(-c2ccccc2)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C24H30N2O5/c1-16(27)15-18-13-14-19(17-11-9-8-10-12-17)20(25-18)26(21(28)30-23(2,3)4)22(29)31-24(5,6)7/h8-14H,15H2,1-7H3
InChIKeyRRZDTVACCWXPLQ-UHFFFAOYSA-N
MW426.51 g/mol
LogP5.56
Rot. Bonds4

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate (PubChem CID 134432804) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate
PubChem CID134432804
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate
SMILESCC(=O)Cc1ccc(-c2ccccc2)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C24H30N2O5/c1-16(27)15-18-13-14-19(17-11-9-8-10-12-17)20(25-18)26(21(28)30-23(2,3)4)22(29)31-24(5,6)7/h8-14H,15H2,1-7H3
InChIKeyRRZDTVACCWXPLQ-UHFFFAOYSA-N
XLogP5.56
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate (CID 134432804) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate is CC(=O)Cc1ccc(-c2ccccc2)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate?
The InChIKey is RRZDTVACCWXPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-16(27)15-18-13-14-19(17-11-9-8-10-12-17)20(25-18)26(21(28)30-23(2,3)4)22(29)31-24(5,6)7/h8-14H,15H2,1-7H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate has a molecular weight of 426.51 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(2-oxopropyl)-3-phenyl-2-pyridinyl]carbamate is sourced from PubChem (CID 134432804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).