2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde

C16H23N3O2 — CID 59664797

IUPAC2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde
SMILESCN(C)C1CCN(C(=O)CN(CC=O)c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-17(2)15-8-9-19(12-15)16(21)13-18(10-11-20)14-6-4-3-5-7-14/h3-7,11,15H,8-10,12-13H2,1-2H3
InChIKeyAMQZOZDYIMANAU-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.85
Rot. Bonds6

About 2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde

2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde (PubChem CID 59664797) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde.

Molecular Properties

Compound Name2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde
PubChem CID59664797
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde
SMILESCN(C)C1CCN(C(=O)CN(CC=O)c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-17(2)15-8-9-19(12-15)16(21)13-18(10-11-20)14-6-4-3-5-7-14/h3-7,11,15H,8-10,12-13H2,1-2H3
InChIKeyAMQZOZDYIMANAU-UHFFFAOYSA-N
XLogP0.85
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 51674289
1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone
CID 154783657
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride
CID 67378904
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone
CID 177006682
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354787
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone
CID 55169216

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde?
The IUPAC name of 2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde (CID 59664797) is 2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde.
What is the SMILES notation for 2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde?
The canonical SMILES for 2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde is CN(C)C1CCN(C(=O)CN(CC=O)c2ccccc2)C1.
What is the InChIKey of 2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde?
The InChIKey is AMQZOZDYIMANAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17(2)15-8-9-19(12-15)16(21)13-18(10-11-20)14-6-4-3-5-7-14/h3-7,11,15H,8-10,12-13H2,1-2H3.
What are the key properties of 2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde?
2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde has a molecular weight of 289.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde is sourced from PubChem (CID 59664797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).