N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide

C26H29NO2 — CID 158011369

IUPACN-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide
SMILESCC(=O)CC(C)Cc1ccc(C#Cc2cccc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C26H29NO2/c1-19(16-20(2)28)17-23-14-11-21(12-15-23)10-13-22-6-5-7-24(18-22)26(29)27-25-8-3-4-9-25/h5-7,11-12,14-15,18-19,25H,3-4,8-9,16-17H2,1-2H3,(H,27,29)
InChIKeyFEXRDWZODUVZJU-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.92
Rot. Bonds6

About N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide

N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide (PubChem CID 158011369) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide
PubChem CID158011369
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC NameN-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide
SMILESCC(=O)CC(C)Cc1ccc(C#Cc2cccc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C26H29NO2/c1-19(16-20(2)28)17-23-14-11-21(12-15-23)10-13-22-6-5-7-24(18-22)26(29)27-25-8-3-4-9-25/h5-7,11-12,14-15,18-19,25H,3-4,8-9,16-17H2,1-2H3,(H,27,29)
InChIKeyFEXRDWZODUVZJU-UHFFFAOYSA-N
XLogP4.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide
CID 158464046
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
3-[2-[4-(2-acetamidopropyl)phenyl]ethynyl]-N-cyclopentyl-N-methylbenzamide
CID 66635159
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
3-(cyanomethyl)-N-cyclopentylbenzamide
CID 82178994
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051430
N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
[3-(cyclopentylcarbamoyl)phenyl]borinic acid
CID 142459248
N-cyclooctyl-3-methylbenzamide
CID 966011

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide (CID 158011369) is N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide is CC(=O)CC(C)Cc1ccc(C#Cc2cccc(C(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide?
The InChIKey is FEXRDWZODUVZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-19(16-20(2)28)17-23-14-11-21(12-15-23)10-13-22-6-5-7-24(18-22)26(29)27-25-8-3-4-9-25/h5-7,11-12,14-15,18-19,25H,3-4,8-9,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide?
N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide has a molecular weight of 387.52 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide is sourced from PubChem (CID 158011369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).