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

C23H28N2O — CID 75691770

IUPAC2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNC(=O)CC2C=CCC2)cc1
InChIInChI=1S/C23H28N2O/c1-25(2)17-19-11-13-20(14-12-19)22-10-6-5-9-21(22)16-24-23(26)15-18-7-3-4-8-18/h3,5-7,9-14,18H,4,8,15-17H2,1-2H3,(H,24,26)
InChIKeyOBZPUJBCEOHMKE-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.39
Rot. Bonds7

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

2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide (PubChem CID 75691770) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide
PubChem CID75691770
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNC(=O)CC2C=CCC2)cc1
InChIInChI=1S/C23H28N2O/c1-25(2)17-19-11-13-20(14-12-19)22-10-6-5-9-21(22)16-24-23(26)15-18-7-3-4-8-18/h3,5-7,9-14,18H,4,8,15-17H2,1-2H3,(H,24,26)
InChIKeyOBZPUJBCEOHMKE-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42943354
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55549362
(2S,7R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,7-dimethyl-1,4-oxazepane-4-carboxamide
CID 136583671
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24661105
2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide
CID 94797406
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 47021287
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38262519
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4-pyridin-3-ylphenyl)methyl]acetamide
CID 97078512
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24661103
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 46403346
N-[3-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 38260333

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide (CID 75691770) is 2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide is CN(C)Cc1ccc(-c2ccccc2CNC(=O)CC2C=CCC2)cc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide?
The InChIKey is OBZPUJBCEOHMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-25(2)17-19-11-13-20(14-12-19)22-10-6-5-9-21(22)16-24-23(26)15-18-7-3-4-8-18/h3,5-7,9-14,18H,4,8,15-17H2,1-2H3,(H,24,26).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide?
2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 4.39, 7 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-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 75691770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).