N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide

C20H21N3O4 — CID 71213819

IUPACN-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2C#N)cc1O
InChIInChI=1S/C20H21N3O4/c1-3-6-19(25)23-16-10-9-15(11-17(16)24)22-20(26)13(2)27-18-8-5-4-7-14(18)12-21/h4-5,7-11,13,24H,3,6H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyPASZQILSXKMUGJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.41
Rot. Bonds7

About N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide

N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide (PubChem CID 71213819) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide
PubChem CID71213819
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2C#N)cc1O
InChIInChI=1S/C20H21N3O4/c1-3-6-19(25)23-16-10-9-15(11-17(16)24)22-20(26)13(2)27-18-8-5-4-7-14(18)12-21/h4-5,7-11,13,24H,3,6H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyPASZQILSXKMUGJ-UHFFFAOYSA-N
XLogP3.41
TPSA111.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate
CID 46596294
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55598302
2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 55597385
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
CID 93045041
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 55598715
2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 46597519
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide?
The IUPAC name of N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide (CID 71213819) is N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide.
What is the SMILES notation for N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide?
The canonical SMILES for N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2C#N)cc1O.
What is the InChIKey of N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide?
The InChIKey is PASZQILSXKMUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-6-19(25)23-16-10-9-15(11-17(16)24)22-20(26)13(2)27-18-8-5-4-7-14(18)12-21/h4-5,7-11,13,24H,3,6H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide?
N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide has a molecular weight of 367.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide is sourced from PubChem (CID 71213819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).