N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide

C22H24N2O2 — CID 18125145

IUPACN-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide
SMILESO=C(NC1CC1)C(c1ccccc1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H24N2O2/c25-20-10-6-16(7-11-20)17-12-14-24(15-13-17)21(18-4-2-1-3-5-18)22(26)23-19-8-9-19/h1-7,10-12,19,21,25H,8-9,13-15H2,(H,23,26)
InChIKeySDFKPJBTQVMBEQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.50
Rot. Bonds5

About N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide

N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide (PubChem CID 18125145) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide
PubChem CID18125145
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide
SMILESO=C(NC1CC1)C(c1ccccc1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H24N2O2/c25-20-10-6-16(7-11-20)17-12-14-24(15-13-17)21(18-4-2-1-3-5-18)22(26)23-19-8-9-19/h1-7,10-12,19,21,25H,8-9,13-15H2,(H,23,26)
InChIKeySDFKPJBTQVMBEQ-UHFFFAOYSA-N
XLogP3.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide (CID 18125145) is N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide is O=C(NC1CC1)C(c1ccccc1)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide?
The InChIKey is SDFKPJBTQVMBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-20-10-6-16(7-11-20)17-12-14-24(15-13-17)21(18-4-2-1-3-5-18)22(26)23-19-8-9-19/h1-7,10-12,19,21,25H,8-9,13-15H2,(H,23,26).
What are the key properties of N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide?
N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide has a molecular weight of 348.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 18125145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).