4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile

C16H21N3O2 — CID 133457437

IUPAC4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile
SMILESCC(=O)c1ccc(C#N)c(N(C)CCN2CCOCC2)c1
InChIInChI=1S/C16H21N3O2/c1-13(20)14-3-4-15(12-17)16(11-14)18(2)5-6-19-7-9-21-10-8-19/h3-4,11H,5-10H2,1-2H3
InChIKeyHMPJQAKAPOHDOP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.53
Rot. Bonds5

About 4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile

4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile (PubChem CID 133457437) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile.

Molecular Properties

Compound Name4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile
PubChem CID133457437
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile
SMILESCC(=O)c1ccc(C#N)c(N(C)CCN2CCOCC2)c1
InChIInChI=1S/C16H21N3O2/c1-13(20)14-3-4-15(12-17)16(11-14)18(2)5-6-19-7-9-21-10-8-19/h3-4,11H,5-10H2,1-2H3
InChIKeyHMPJQAKAPOHDOP-UHFFFAOYSA-N
XLogP1.53
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-2-[cyclopentylmethyl(methyl)amino]benzonitrile
CID 133457008
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4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 81306441
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
2-(5-acetyl-2-cyano-N-propylanilino)acetic acid
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1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
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4-acetyl-2-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
CID 133466286
N-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 123906232
1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
CID 82165517
1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone
CID 11507029
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
CID 78799293
3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 163865741

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile?
The IUPAC name of 4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile (CID 133457437) is 4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile.
What is the SMILES notation for 4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile?
The canonical SMILES for 4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile is CC(=O)c1ccc(C#N)c(N(C)CCN2CCOCC2)c1.
What is the InChIKey of 4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile?
The InChIKey is HMPJQAKAPOHDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(20)14-3-4-15(12-17)16(11-14)18(2)5-6-19-7-9-21-10-8-19/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile?
4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile has a molecular weight of 287.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile is sourced from PubChem (CID 133457437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).