2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide

C21H23N3O3 — CID 51144723

IUPAC2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C21H23N3O3/c1-14-6-5-7-15(2)20(14)23-19(25)13-24(4)21(26)16(3)27-18-10-8-17(12-22)9-11-18/h5-11,16H,13H2,1-4H3,(H,23,25)
InChIKeyNVUIANFQYPOVIJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.04
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide

2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 51144723) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID51144723
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C21H23N3O3/c1-14-6-5-7-15(2)20(14)23-19(25)13-24(4)21(26)16(3)27-18-10-8-17(12-22)9-11-18/h5-11,16H,13H2,1-4H3,(H,23,25)
InChIKeyNVUIANFQYPOVIJ-UHFFFAOYSA-N
XLogP3.04
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 16546591
2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26619648
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide
CID 34737309
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983681
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55792767
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide
CID 86921453
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide
CID 16552134
2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 55695909
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide (CID 51144723) is 2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)C(C)Oc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is NVUIANFQYPOVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-6-5-7-15(2)20(14)23-19(25)13-24(4)21(26)16(3)27-18-10-8-17(12-22)9-11-18/h5-11,16H,13H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide?
2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 365.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 51144723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).