N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C24H30N2O2 — CID 24682307

IUPACN-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CN1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H30N2O2/c1-24(2,3)26(17-19-7-5-4-6-8-19)23(28)18-25-15-13-21(14-16-25)20-9-11-22(27)12-10-20/h4-13,27H,14-18H2,1-3H3
InChIKeyYQGPDSXLRTWWGR-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.31
Rot. Bonds5

About N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 24682307) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID24682307
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CN1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H30N2O2/c1-24(2,3)26(17-19-7-5-4-6-8-19)23(28)18-25-15-13-21(14-16-25)20-9-11-22(27)12-10-20/h4-13,27H,14-18H2,1-3H3
InChIKeyYQGPDSXLRTWWGR-UHFFFAOYSA-N
XLogP4.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 24682307) is N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is CC(C)(C)N(Cc1ccccc1)C(=O)CN1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is YQGPDSXLRTWWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-24(2,3)26(17-19-7-5-4-6-8-19)23(28)18-25-15-13-21(14-16-25)20-9-11-22(27)12-10-20/h4-13,27H,14-18H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 24682307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).