2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide

C19H20N4O3 — CID 26507789

IUPAC2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C19H20N4O3/c1-13-3-8-17(26-2)16(9-13)23-19(25)12-22-18(24)11-21-15-6-4-14(10-20)5-7-15/h3-9,21H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPNCKEKKTPWSXAE-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.04
Rot. Bonds7

About 2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide

2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide (PubChem CID 26507789) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
PubChem CID26507789
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C19H20N4O3/c1-13-3-8-17(26-2)16(9-13)23-19(25)12-22-18(24)11-21-15-6-4-14(10-20)5-7-15/h3-9,21H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPNCKEKKTPWSXAE-UHFFFAOYSA-N
XLogP2.04
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
N-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 37471423
2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 86825970
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774
N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide
CID 31699354
2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
2-(4-chloro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507206
2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26528432
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 31766831

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide (CID 26507789) is 2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is PNCKEKKTPWSXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-3-8-17(26-2)16(9-13)23-19(25)12-22-18(24)11-21-15-6-4-14(10-20)5-7-15/h3-9,21H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 26507789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).