N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide

C28H32N2O2 — CID 21361552

IUPACN-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide
SMILESCC1(C)CCCC1CNC(=O)c1ccc(-c2cccc(OCCc3ccccn3)c2)cc1
InChIInChI=1S/C28H32N2O2/c1-28(2)16-6-8-24(28)20-30-27(31)22-13-11-21(12-14-22)23-7-5-10-26(19-23)32-18-15-25-9-3-4-17-29-25/h3-5,7,9-14,17,19,24H,6,8,15-16,18,20H2,1-2H3,(H,30,31)
InChIKeyRTSVWRSBDCTBRW-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.93
Rot. Bonds8

About N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide

N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide (PubChem CID 21361552) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide
PubChem CID21361552
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC NameN-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide
SMILESCC1(C)CCCC1CNC(=O)c1ccc(-c2cccc(OCCc3ccccn3)c2)cc1
InChIInChI=1S/C28H32N2O2/c1-28(2)16-6-8-24(28)20-30-27(31)22-13-11-21(12-14-22)23-7-5-10-26(19-23)32-18-15-25-9-3-4-17-29-25/h3-5,7,9-14,17,19,24H,6,8,15-16,18,20H2,1-2H3,(H,30,31)
InChIKeyRTSVWRSBDCTBRW-UHFFFAOYSA-N
XLogP5.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide (CID 21361552) is N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide is CC1(C)CCCC1CNC(=O)c1ccc(-c2cccc(OCCc3ccccn3)c2)cc1.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide?
The InChIKey is RTSVWRSBDCTBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-28(2)16-6-8-24(28)20-30-27(31)22-13-11-21(12-14-22)23-7-5-10-26(19-23)32-18-15-25-9-3-4-17-29-25/h3-5,7,9-14,17,19,24H,6,8,15-16,18,20H2,1-2H3,(H,30,31).
What are the key properties of N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide?
N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 21361552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).