2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide

C16H15N3O2 — CID 43711069

IUPAC2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
SMILESN#Cc1cccc(CNc2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C16H15N3O2/c17-9-12-2-1-3-13(8-12)10-19-14-4-6-15(7-5-14)21-11-16(18)20/h1-8,19H,10-11H2,(H2,18,20)
InChIKeyURDDCSYCTNJWCK-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.03
Rot. Bonds6

About 2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide

2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide (PubChem CID 43711069) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
PubChem CID43711069
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
SMILESN#Cc1cccc(CNc2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C16H15N3O2/c17-9-12-2-1-3-13(8-12)10-19-14-4-6-15(7-5-14)21-11-16(18)20/h1-8,19H,10-11H2,(H2,18,20)
InChIKeyURDDCSYCTNJWCK-UHFFFAOYSA-N
XLogP2.03
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.03
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

2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
CID 38380319
2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide
CID 61103319
propyl 4-[(3-cyanophenyl)methylamino]benzoate
CID 78822819
4-[(3-cyanophenyl)methylamino]-N-methylbenzamide
CID 43231738
3-[(4-iodoanilino)methyl]benzonitrile
CID 28878768
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
CID 103851337
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[(3-cyanophenyl)methyl]-N-methylprop-2-enamide
CID 56808077
3-[(quinoxalin-6-ylamino)methyl]benzonitrile
CID 60942879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide (CID 43711069) is 2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide is N#Cc1cccc(CNc2ccc(OCC(N)=O)cc2)c1.
What is the InChIKey of 2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide?
The InChIKey is URDDCSYCTNJWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-9-12-2-1-3-13(8-12)10-19-14-4-6-15(7-5-14)21-11-16(18)20/h1-8,19H,10-11H2,(H2,18,20).
What are the key properties of 2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide?
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 43711069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).