[4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium

C14H21N2O2+ — CID 7462459

IUPAC[4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium
SMILESNC(=O)COc1ccc(C[NH2+]C2CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-14(17)10-18-13-7-5-11(6-8-13)9-16-12-3-1-2-4-12/h5-8,12,16H,1-4,9-10H2,(H2,15,17)/p+1
InChIKeyZVNKGWNCIOHBLS-UHFFFAOYSA-O
MW249.33 g/mol
LogP0.56
Rot. Bonds6

About [4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium

[4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium (PubChem CID 7462459) has the molecular formula C14H21N2O2+ and a molecular weight of 249.33 g/mol. Its IUPAC name is [4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium.

Molecular Properties

Compound Name[4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium
PubChem CID7462459
Molecular FormulaC14H21N2O2+
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name[4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium
SMILESNC(=O)COc1ccc(C[NH2+]C2CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-14(17)10-18-13-7-5-11(6-8-13)9-16-12-3-1-2-4-12/h5-8,12,16H,1-4,9-10H2,(H2,15,17)/p+1
InChIKeyZVNKGWNCIOHBLS-UHFFFAOYSA-O
XLogP0.56
TPSA68.93 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
cyclopentyl-[(4-methoxyphenyl)methyl]azanium
CID 4742547
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
CID 88969762
CID 88969762
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 134060013
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
2-(4-piperidin-3-ylphenoxy)acetamide
CID 117100144
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 43216337
2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 60958128

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium?
The IUPAC name of [4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium (CID 7462459) is [4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium.
What is the SMILES notation for [4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium?
The canonical SMILES for [4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium is NC(=O)COc1ccc(C[NH2+]C2CCCC2)cc1.
What is the InChIKey of [4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium?
The InChIKey is ZVNKGWNCIOHBLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O2/c15-14(17)10-18-13-7-5-11(6-8-13)9-16-12-3-1-2-4-12/h5-8,12,16H,1-4,9-10H2,(H2,15,17)/p+1.
What are the key properties of [4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium?
[4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium has a molecular weight of 249.33 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium is sourced from PubChem (CID 7462459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).