2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

C21H23N3O2 — CID 9142712

IUPAC2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C21H23N3O2/c22-13-17-7-9-20(10-8-17)26-16-21(25)23-14-18-5-1-2-6-19(18)15-24-11-3-4-12-24/h1-2,5-10H,3-4,11-12,14-16H2,(H,23,25)
InChIKeyICPFTOKXNHMXCZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.85
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 9142712) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID9142712
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C21H23N3O2/c22-13-17-7-9-20(10-8-17)26-16-21(25)23-14-18-5-1-2-6-19(18)15-24-11-3-4-12-24/h1-2,5-10H,3-4,11-12,14-16H2,(H,23,25)
InChIKeyICPFTOKXNHMXCZ-UHFFFAOYSA-N
XLogP2.85
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 41437994
2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142639
2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142680
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969266
2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide
CID 34141400
2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 36554280
4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 31644615
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 9142893
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 51207835
3-(2-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31644779

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (CID 9142712) is 2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is N#Cc1ccc(OCC(=O)NCc2ccccc2CN2CCCC2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is ICPFTOKXNHMXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-13-17-7-9-20(10-8-17)26-16-21(25)23-14-18-5-1-2-6-19(18)15-24-11-3-4-12-24/h1-2,5-10H,3-4,11-12,14-16H2,(H,23,25).
What are the key properties of 2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 9142712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).