N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide

C28H27N3O3 — CID 154858623

IUPACN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccccc1CN1CCc2ccccc21)C(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C28H27N3O3/c32-24-11-9-20(10-12-24)21-13-16-30(17-14-21)28(34)27(33)29-25-7-3-1-6-23(25)19-31-18-15-22-5-2-4-8-26(22)31/h1-13,32H,14-19H2,(H,29,33)
InChIKeyXXEFSSLAZZNEBB-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.21
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide (PubChem CID 154858623) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide
PubChem CID154858623
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccccc1CN1CCc2ccccc21)C(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C28H27N3O3/c32-24-11-9-20(10-12-24)21-13-16-30(17-14-21)28(34)27(33)29-25-7-3-1-6-23(25)19-31-18-15-22-5-2-4-8-26(22)31/h1-13,32H,14-19H2,(H,29,33)
InChIKeyXXEFSSLAZZNEBB-UHFFFAOYSA-N
XLogP4.21
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide (CID 154858623) is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide is O=C(Nc1ccccc1CN1CCc2ccccc21)C(=O)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide?
The InChIKey is XXEFSSLAZZNEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c32-24-11-9-20(10-12-24)21-13-16-30(17-14-21)28(34)27(33)29-25-7-3-1-6-23(25)19-31-18-15-22-5-2-4-8-26(22)31/h1-13,32H,14-19H2,(H,29,33).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide?
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide has a molecular weight of 453.54 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 154858623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).