2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide

C15H19N3O2 — CID 106485018

IUPAC2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)COc2cccc(CN)c2)CCCC1
InChIInChI=1S/C15H19N3O2/c16-9-12-4-3-5-13(8-12)20-10-14(19)18-15(11-17)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10,16H2,(H,18,19)
InChIKeyYQIZJJWXILJOSA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.48
Rot. Bonds5

About 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide

2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 106485018) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide
PubChem CID106485018
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)COc2cccc(CN)c2)CCCC1
InChIInChI=1S/C15H19N3O2/c16-9-12-4-3-5-13(8-12)20-10-14(19)18-15(11-17)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10,16H2,(H,18,19)
InChIKeyYQIZJJWXILJOSA-UHFFFAOYSA-N
XLogP1.48
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
CID 106485095
N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 71935882
N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026920
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 86913662
N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174585
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528080
N-(1-cyanocyclopentyl)-4-phenoxybutanamide
CID 86978972
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212
2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide
CID 7434176
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 7838701

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide (CID 106485018) is 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)COc2cccc(CN)c2)CCCC1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is YQIZJJWXILJOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-9-12-4-3-5-13(8-12)20-10-14(19)18-15(11-17)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10,16H2,(H,18,19).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide?
2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 106485018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).