2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide

C16H21N3O2 — CID 63211324

IUPAC2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-18(10-11-19-8-2-3-9-19)16(20)13-21-15-6-4-14(12-17)5-7-15/h4-7H,2-3,8-11,13H2,1H3
InChIKeyUJEUJQCRCMHHKR-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.49
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide

2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 63211324) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID63211324
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-18(10-11-19-8-2-3-9-19)16(20)13-21-15-6-4-14(12-17)5-7-15/h4-7H,2-3,8-11,13H2,1H3
InChIKeyUJEUJQCRCMHHKR-UHFFFAOYSA-N
XLogP1.49
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 110753601
2-(4-tert-butylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56508711
2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
CID 63265704
2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112698009
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760086
2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 84599769
4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63211293
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 63211324) is 2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide is CN(CCN1CCCC1)C(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is UJEUJQCRCMHHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18(10-11-19-8-2-3-9-19)16(20)13-21-15-6-4-14(12-17)5-7-15/h4-7H,2-3,8-11,13H2,1H3.
What are the key properties of 2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 63211324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).