2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide

C20H21N3O3 — CID 113164937

IUPAC2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
SMILESCOc1ccc(CCN(CC(=O)Nc2cccc(C#N)c2)C(C)=O)cc1
InChIInChI=1S/C20H21N3O3/c1-15(24)23(11-10-16-6-8-19(26-2)9-7-16)14-20(25)22-18-5-3-4-17(12-18)13-21/h3-9,12H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyVUKQRKRMJJTPTD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.60
Rot. Bonds7

About 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide

2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide (PubChem CID 113164937) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
PubChem CID113164937
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
SMILESCOc1ccc(CCN(CC(=O)Nc2cccc(C#N)c2)C(C)=O)cc1
InChIInChI=1S/C20H21N3O3/c1-15(24)23(11-10-16-6-8-19(26-2)9-7-16)14-20(25)22-18-5-3-4-17(12-18)13-21/h3-9,12H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyVUKQRKRMJJTPTD-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(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113164923
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113164905
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113165374
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533
3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
CID 113130052
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
methyl 3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]benzoate
CID 113164089
methyl 3-[[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]acetyl]amino]benzoate
CID 113165514
3-cyano-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719235
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163737

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide (CID 113164937) is 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide is COc1ccc(CCN(CC(=O)Nc2cccc(C#N)c2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide?
The InChIKey is VUKQRKRMJJTPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15(24)23(11-10-16-6-8-19(26-2)9-7-16)14-20(25)22-18-5-3-4-17(12-18)13-21/h3-9,12H,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide?
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-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-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113164937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).