N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide

C22H25N3O2 — CID 69356018

IUPACN-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide
SMILESCC(=O)NC1CCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H25N3O2/c1-17(26)24-22-4-2-13-25(22)14-3-15-27-21-11-9-20(10-12-21)19-7-5-18(16-23)6-8-19/h5-12,22H,2-4,13-15H2,1H3,(H,24,26)
InChIKeyAWLQPGOBHRUXIV-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.55
Rot. Bonds7

About N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide

N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide (PubChem CID 69356018) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide
PubChem CID69356018
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide
SMILESCC(=O)NC1CCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H25N3O2/c1-17(26)24-22-4-2-13-25(22)14-3-15-27-21-11-9-20(10-12-21)19-7-5-18(16-23)6-8-19/h5-12,22H,2-4,13-15H2,1H3,(H,24,26)
InChIKeyAWLQPGOBHRUXIV-UHFFFAOYSA-N
XLogP3.55
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide
CID 69355941
[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]-methylcarbamic acid
CID 22994364
methyl (2S)-1-[3-(4-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97213800
N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]-2-methylbenzenesulfonamide
CID 69357390
4-tert-butyl-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide
CID 69355786
N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]-4-fluoro-N-methylbenzamide
CID 69355815
1-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]-N-(pyrrolidine-1-carbonyl)pyrrolidin-1-ium-1-carboxamide
CID 90952195
(2R)-1-[2-(4-cyanophenoxy)ethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 34929966
1-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]-1,3,3-trimethylurea
CID 10136042
4-[4-[3-(3-hydroxypyrrolidin-1-yl)propoxy]phenyl]benzonitrile
CID 22994404
4-[2-[(2S)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]ethoxy]benzonitrile
CID 95315374
methyl (2R)-1-[3-(3-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97062500

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide (CID 69356018) is N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide is CC(=O)NC1CCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide?
The InChIKey is AWLQPGOBHRUXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17(26)24-22-4-2-13-25(22)14-3-15-27-21-11-9-20(10-12-21)19-7-5-18(16-23)6-8-19/h5-12,22H,2-4,13-15H2,1H3,(H,24,26).
What are the key properties of N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide?
N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 69356018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).