2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide

C18H19N3O2 — CID 17427764

IUPAC2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-21(2)16-7-3-15(4-8-16)12-20-18(22)13-23-17-9-5-14(11-19)6-10-17/h3-10H,12-13H2,1-2H3,(H,20,22)
InChIKeyFDBRHKNHBCUKLH-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide

2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 17427764) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
PubChem CID17427764
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-21(2)16-7-3-15(4-8-16)12-20-18(22)13-23-17-9-5-14(11-19)6-10-17/h3-10H,12-13H2,1-2H3,(H,20,22)
InChIKeyFDBRHKNHBCUKLH-UHFFFAOYSA-N
XLogP2.32
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 9289828
methyl 2-[4-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]phenoxy]acetate
CID 54458917
2-(4-cyanophenoxy)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 9256860
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 26678170
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
CID 9019849
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
N-benzyl-2-(4-cyano-N-methylanilino)acetamide
CID 62982094

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide (CID 17427764) is 2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide is CN(C)c1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is FDBRHKNHBCUKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21(2)16-7-3-15(4-8-16)12-20-18(22)13-23-17-9-5-14(11-19)6-10-17/h3-10H,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 17427764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).