N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide

C16H22N2O — CID 103845316

IUPACN-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCCC1=CCCC1
InChIInChI=1S/C16H22N2O/c1-13(19)18-16-9-5-4-8-15(16)12-17-11-10-14-6-2-3-7-14/h4-6,8-9,17H,2-3,7,10-12H2,1H3,(H,18,19)
InChIKeyFJUKLQUZQYXHQC-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.23
Rot. Bonds6

About N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide

N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide (PubChem CID 103845316) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
PubChem CID103845316
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCCC1=CCCC1
InChIInChI=1S/C16H22N2O/c1-13(19)18-16-9-5-4-8-15(16)12-17-11-10-14-6-2-3-7-14/h4-6,8-9,17H,2-3,7,10-12H2,1H3,(H,18,19)
InChIKeyFJUKLQUZQYXHQC-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
CID 55061824
2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 113334945
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
CID 66417096
methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate
CID 103923811
N-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 80681991
2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54847740
N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide
CID 106335613
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
2-(cyclopenten-1-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 106173882
N-[(2-bromo-3-fluorophenyl)methyl]-2-(cyclopenten-1-yl)ethanamine
CID 114153936
4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide
CID 103845360

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide (CID 103845316) is N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNCCC1=CCCC1.
What is the InChIKey of N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide?
The InChIKey is FJUKLQUZQYXHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(19)18-16-9-5-4-8-15(16)12-17-11-10-14-6-2-3-7-14/h4-6,8-9,17H,2-3,7,10-12H2,1H3,(H,18,19).
What are the key properties of N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide?
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide has a molecular weight of 258.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 103845316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).