2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide

C21H31NO3 — CID 134875380

IUPAC2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide
SMILESCc1ccc(OCCCCCCCO)c(NC(=O)CC2C=CCC2)c1
InChIInChI=1S/C21H31NO3/c1-17-11-12-20(25-14-8-4-2-3-7-13-23)19(15-17)22-21(24)16-18-9-5-6-10-18/h5,9,11-12,15,18,23H,2-4,6-8,10,13-14,16H2,1H3,(H,22,24)
InChIKeyCAKYNRBDVFCJLW-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.61
Rot. Bonds11

About 2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide

2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide (PubChem CID 134875380) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide
PubChem CID134875380
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Name2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide
SMILESCc1ccc(OCCCCCCCO)c(NC(=O)CC2C=CCC2)c1
InChIInChI=1S/C21H31NO3/c1-17-11-12-20(25-14-8-4-2-3-7-13-23)19(15-17)22-21(24)16-18-9-5-6-10-18/h5,9,11-12,15,18,23H,2-4,6-8,10,13-14,16H2,1H3,(H,22,24)
InChIKeyCAKYNRBDVFCJLW-UHFFFAOYSA-N
XLogP4.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-[5-methyl-2-[(E)-8-oxooct-6-enoxy]phenyl]acetamide
CID 101107082
2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 46551111
N-(2-bromo-4-methylphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 41037744
N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 41037745
2-cyclopent-2-en-1-yl-N-(2,5-dimethoxyphenyl)acetamide
CID 18196579
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068771
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9319185
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065629
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
2-cyclopent-2-en-1-yl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46820829

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide (CID 134875380) is 2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide is Cc1ccc(OCCCCCCCO)c(NC(=O)CC2C=CCC2)c1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide?
The InChIKey is CAKYNRBDVFCJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-17-11-12-20(25-14-8-4-2-3-7-13-23)19(15-17)22-21(24)16-18-9-5-6-10-18/h5,9,11-12,15,18,23H,2-4,6-8,10,13-14,16H2,1H3,(H,22,24).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide?
2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide has a molecular weight of 345.48 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide is sourced from PubChem (CID 134875380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).