2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide

C20H21N3O3 — CID 113164626

IUPAC2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
SMILESCOc1ccccc1CCN(CC(=O)Nc1ccc(C#N)cc1)C(C)=O
InChIInChI=1S/C20H21N3O3/c1-15(24)23(12-11-17-5-3-4-6-19(17)26-2)14-20(25)22-18-9-7-16(13-21)8-10-18/h3-10H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyIWTHVPKOLYVXMJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.60
Rot. Bonds7

About 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide (PubChem CID 113164626) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
PubChem CID113164626
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
SMILESCOc1ccccc1CCN(CC(=O)Nc1ccc(C#N)cc1)C(C)=O
InChIInChI=1S/C20H21N3O3/c1-15(24)23(12-11-17-5-3-4-6-19(17)26-2)14-20(25)22-18-9-7-16(13-21)8-10-18/h3-10H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyIWTHVPKOLYVXMJ-UHFFFAOYSA-N
XLogP2.60
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 113164614
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 113165933
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164592
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113164597
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113164628
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-cyclopropylacetamide
CID 113164478
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113121305
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113164495

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide (CID 113164626) is 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide is COc1ccccc1CCN(CC(=O)Nc1ccc(C#N)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide?
The InChIKey is IWTHVPKOLYVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15(24)23(12-11-17-5-3-4-6-19(17)26-2)14-20(25)22-18-9-7-16(13-21)8-10-18/h3-10H,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide?
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 113164626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).