N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide

C16H21N3O2 — CID 61026920

IUPACN-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1
InChIInChI=1S/C16H21N3O2/c1-18-13-5-7-14(8-6-13)21-11-15(20)19-16(12-17)9-3-2-4-10-16/h5-8,18H,2-4,9-11H2,1H3,(H,19,20)
InChIKeyBIYKGBDWTROGRL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.45
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide

N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide (PubChem CID 61026920) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide
PubChem CID61026920
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1
InChIInChI=1S/C16H21N3O2/c1-18-13-5-7-14(8-6-13)21-11-15(20)19-16(12-17)9-3-2-4-10-16/h5-8,18H,2-4,9-11H2,1H3,(H,19,20)
InChIKeyBIYKGBDWTROGRL-UHFFFAOYSA-N
XLogP2.45
TPSA74.15 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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174585
N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 4782860
N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 86913662
N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7561018
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194275
2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
CID 8552136
2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
CID 106485095
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014344
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147332
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7855996
2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclopentyl)acetamide
CID 106485018
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide (CID 61026920) is N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide is CNc1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide?
The InChIKey is BIYKGBDWTROGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-13-5-7-14(8-6-13)21-11-15(20)19-16(12-17)9-3-2-4-10-16/h5-8,18H,2-4,9-11H2,1H3,(H,19,20).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide?
N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide is sourced from PubChem (CID 61026920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).