N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide

C21H22N2O2 — CID 154833379

IUPACN-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide
SMILESN#CCc1ccc(OCc2cccc(NC(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C21H22N2O2/c22-13-12-16-8-10-20(11-9-16)25-15-17-4-3-7-19(14-17)23-21(24)18-5-1-2-6-18/h3-4,7-11,14,18H,1-2,5-6,12,15H2,(H,23,24)
InChIKeyDLJODEUSHQZDCM-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.46
Rot. Bonds6

About N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide

N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 154833379) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide
PubChem CID154833379
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide
SMILESN#CCc1ccc(OCc2cccc(NC(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C21H22N2O2/c22-13-12-16-8-10-20(11-9-16)25-15-17-4-3-7-19(14-17)23-21(24)18-5-1-2-6-18/h3-4,7-11,14,18H,1-2,5-6,12,15H2,(H,23,24)
InChIKeyDLJODEUSHQZDCM-UHFFFAOYSA-N
XLogP4.46
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 87005435
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]quinoline-4-carboxamide
CID 112836203
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-[3-[[[2-(4-nitrophenoxy)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 52703092
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55765767
3-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 112838468
N-[(3-phenylmethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 17086173
N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921809
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate
CID 45280827

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide (CID 154833379) is N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide is N#CCc1ccc(OCc2cccc(NC(=O)C3CCCC3)c2)cc1.
What is the InChIKey of N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is DLJODEUSHQZDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c22-13-12-16-8-10-20(11-9-16)25-15-17-4-3-7-19(14-17)23-21(24)18-5-1-2-6-18/h3-4,7-11,14,18H,1-2,5-6,12,15H2,(H,23,24).
What are the key properties of N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 154833379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).