2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide

C20H21N3O3 — CID 113180672

IUPAC2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN(C(C)=O)c2ccccc2C#N)c1
InChIInChI=1S/C20H21N3O3/c1-15(24)23(19-9-4-3-7-17(19)13-21)14-20(25)22-11-10-16-6-5-8-18(12-16)26-2/h3-9,12H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyRLPCXCVGUIICHT-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.28
Rot. Bonds7

About 2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 113180672) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID113180672
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN(C(C)=O)c2ccccc2C#N)c1
InChIInChI=1S/C20H21N3O3/c1-15(24)23(19-9-4-3-7-17(19)13-21)14-20(25)22-11-10-16-6-5-8-18(12-16)26-2/h3-9,12H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyRLPCXCVGUIICHT-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113170749
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113169252
2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113177608
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113175282
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113124161
2-[acetyl(prop-2-enyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158522
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113180657
N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656670

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 113180672) is 2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)CN(C(C)=O)c2ccccc2C#N)c1.
What is the InChIKey of 2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is RLPCXCVGUIICHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15(24)23(19-9-4-3-7-17(19)13-21)14-20(25)22-11-10-16-6-5-8-18(12-16)26-2/h3-9,12H,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113180672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).