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

C16H15N3O2 — CID 61027849

IUPACN-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15N3O2/c1-18-13-6-8-15(9-7-13)21-11-16(20)19-14-4-2-12(10-17)3-5-14/h2-9,18H,11H2,1H3,(H,19,20)
InChIKeyHVJJNIDRXZIGQD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.62
Rot. Bonds5

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

N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide (PubChem CID 61027849) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
PubChem CID61027849
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15N3O2/c1-18-13-6-8-15(9-7-13)21-11-16(20)19-14-4-2-12(10-17)3-5-14/h2-9,18H,11H2,1H3,(H,19,20)
InChIKeyHVJJNIDRXZIGQD-UHFFFAOYSA-N
XLogP2.62
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.62
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-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 1034299
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
N-(4-cyanophenyl)-2-quinoxalin-6-yloxyacetamide
CID 3903681
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 112978228

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide (CID 61027849) is N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide is CNc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide?
The InChIKey is HVJJNIDRXZIGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-18-13-6-8-15(9-7-13)21-11-16(20)19-14-4-2-12(10-17)3-5-14/h2-9,18H,11H2,1H3,(H,19,20).
What are the key properties of N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide?
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide is sourced from PubChem (CID 61027849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).