N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C20H27N3O2 — CID 2088429

IUPACN-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESO=C(CN1CC=C(c2ccccc2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H27N3O2/c24-19(22-20(25)21-18-9-5-2-6-10-18)15-23-13-11-17(12-14-23)16-7-3-1-4-8-16/h1,3-4,7-8,11,18H,2,5-6,9-10,12-15H2,(H2,21,22,24,25)
InChIKeyOFDCNEJOBGLTJY-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.93
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 2088429) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID2088429
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESO=C(CN1CC=C(c2ccccc2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H27N3O2/c24-19(22-20(25)21-18-9-5-2-6-10-18)15-23-13-11-17(12-14-23)16-7-3-1-4-8-16/h1,3-4,7-8,11,18H,2,5-6,9-10,12-15H2,(H2,21,22,24,25)
InChIKeyOFDCNEJOBGLTJY-UHFFFAOYSA-N
XLogP2.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 2088429) is N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is O=C(CN1CC=C(c2ccccc2)CC1)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is OFDCNEJOBGLTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(22-20(25)21-18-9-5-2-6-10-18)15-23-13-11-17(12-14-23)16-7-3-1-4-8-16/h1,3-4,7-8,11,18H,2,5-6,9-10,12-15H2,(H2,21,22,24,25).
What are the key properties of N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 2088429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).