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

C16H21N3O2 — CID 106485095

IUPAC2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)COc2cccc(CN)c2)CCCCC1
InChIInChI=1S/C16H21N3O2/c17-10-13-5-4-6-14(9-13)21-11-15(20)19-16(12-18)7-2-1-3-8-16/h4-6,9H,1-3,7-8,10-11,17H2,(H,19,20)
InChIKeyGAEUOHOGDWJCNE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.87
Rot. Bonds5

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

2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide (PubChem CID 106485095) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
PubChem CID106485095
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)COc2cccc(CN)c2)CCCCC1
InChIInChI=1S/C16H21N3O2/c17-10-13-5-4-6-14(9-13)21-11-15(20)19-16(12-18)7-2-1-3-8-16/h4-6,9H,1-3,7-8,10-11,17H2,(H,19,20)
InChIKeyGAEUOHOGDWJCNE-UHFFFAOYSA-N
XLogP1.87
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide
CID 106485018
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
N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174585
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212
N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 86913662
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-iodobenzoate
CID 8011133
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 7838701
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014344
2-(3-ethylphenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64866142

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide (CID 106485095) is 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide is N#CC1(NC(=O)COc2cccc(CN)c2)CCCCC1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is GAEUOHOGDWJCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-10-13-5-4-6-14(9-13)21-11-15(20)19-16(12-18)7-2-1-3-8-16/h4-6,9H,1-3,7-8,10-11,17H2,(H,19,20).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide?
2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.87, 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-cyanocyclohexyl)acetamide is sourced from PubChem (CID 106485095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).