N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide

C20H20N2O3 — CID 7818621

IUPACN-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H20N2O3/c1-14(2)11-20(24)22-17-7-5-16(6-8-17)19(23)13-25-18-9-3-15(12-21)4-10-18/h3-10,14H,11,13H2,1-2H3,(H,22,24)
InChIKeyMYCMMCWLVGRYIZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.80
Rot. Bonds7

About N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide

N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide (PubChem CID 7818621) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide
PubChem CID7818621
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H20N2O3/c1-14(2)11-20(24)22-17-7-5-16(6-8-17)19(23)13-25-18-9-3-15(12-21)4-10-18/h3-10,14H,11,13H2,1-2H3,(H,22,24)
InChIKeyMYCMMCWLVGRYIZ-UHFFFAOYSA-N
XLogP3.80
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7467139
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808244
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N-[4-[2-(2-methoxyphenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7834385
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 1034299
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7988018
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487246
[1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate
CID 18209931

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide (CID 7818621) is N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide?
The InChIKey is MYCMMCWLVGRYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14(2)11-20(24)22-17-7-5-16(6-8-17)19(23)13-25-18-9-3-15(12-21)4-10-18/h3-10,14H,11,13H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide?
N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide has a molecular weight of 336.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 7818621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).