2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide

C17H24N2O — CID 78809324

IUPAC2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CC2C=CCC2)cc1
InChIInChI=1S/C17H24N2O/c1-3-19(4-2)16-11-9-15(10-12-16)18-17(20)13-14-7-5-6-8-14/h5,7,9-12,14H,3-4,6,8,13H2,1-2H3,(H,18,20)
InChIKeyZJJHFUWXJUWWQU-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.83
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide

2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 78809324) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide
PubChem CID78809324
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CC2C=CCC2)cc1
InChIInChI=1S/C17H24N2O/c1-3-19(4-2)16-11-9-15(10-12-16)18-17(20)13-14-7-5-6-8-14/h5,7,9-12,14H,3-4,6,8,13H2,1-2H3,(H,18,20)
InChIKeyZJJHFUWXJUWWQU-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9203754
4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-methylbenzamide
CID 18196739
propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
CID 31011292
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9203613
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534279
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
(2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide
CID 37396123
N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide
CID 42014387
2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
CID 94820198

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide (CID 78809324) is 2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)CC2C=CCC2)cc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is ZJJHFUWXJUWWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-19(4-2)16-11-9-15(10-12-16)18-17(20)13-14-7-5-6-8-14/h5,7,9-12,14H,3-4,6,8,13H2,1-2H3,(H,18,20).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide?
2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 272.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 78809324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).