3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide

C17H17N3O3 — CID 56789679

IUPAC3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCCOc1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O3/c1-22-16-7-4-13(17(19)21)10-15(16)20-8-9-23-14-5-2-12(11-18)3-6-14/h2-7,10,20H,8-9H2,1H3,(H2,19,21)
InChIKeyWULYGKFGVGVRGR-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.16
Rot. Bonds7

About 3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide

3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide (PubChem CID 56789679) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide
PubChem CID56789679
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCCOc1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O3/c1-22-16-7-4-13(17(19)21)10-15(16)20-8-9-23-14-5-2-12(11-18)3-6-14/h2-7,10,20H,8-9H2,1H3,(H2,19,21)
InChIKeyWULYGKFGVGVRGR-UHFFFAOYSA-N
XLogP2.16
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735345
4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile
CID 51248463
3-[(3-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735340
4-acetyl-2-[2-(4-methoxyphenoxy)ethylamino]benzonitrile
CID 133466180
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
4-acetyl-3-[2-(4-methoxyphenoxy)ethylamino]benzonitrile
CID 133466179
methyl 2-[2-(4-cyanophenoxy)ethylamino]benzoate
CID 55433295
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
2-(4-cyanophenoxy)ethyl 4-bromo-3,5-dimethoxybenzoate
CID 27988560
[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 60600662

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide?
The IUPAC name of 3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide (CID 56789679) is 3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide.
What is the SMILES notation for 3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide?
The canonical SMILES for 3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NCCOc1ccc(C#N)cc1.
What is the InChIKey of 3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide?
The InChIKey is WULYGKFGVGVRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-16-7-4-13(17(19)21)10-15(16)20-8-9-23-14-5-2-12(11-18)3-6-14/h2-7,10,20H,8-9H2,1H3,(H2,19,21).
What are the key properties of 3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide?
3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide has a molecular weight of 311.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide is sourced from PubChem (CID 56789679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).