1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide

C22H24N2O2 — CID 51090126

IUPAC1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2cccc(COCc3ccccc3)c2)CCCC1
InChIInChI=1S/C22H24N2O2/c23-17-22(11-4-5-12-22)21(25)24-14-19-9-6-10-20(13-19)16-26-15-18-7-2-1-3-8-18/h1-3,6-10,13H,4-5,11-12,14-16H2,(H,24,25)
InChIKeyWQUFVCFKJUYFAF-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.10
Rot. Bonds7

About 1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide

1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 51090126) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID51090126
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2cccc(COCc3ccccc3)c2)CCCC1
InChIInChI=1S/C22H24N2O2/c23-17-22(11-4-5-12-22)21(25)24-14-19-9-6-10-20(13-19)16-26-15-18-7-2-1-3-8-18/h1-3,6-10,13H,4-5,11-12,14-16H2,(H,24,25)
InChIKeyWQUFVCFKJUYFAF-UHFFFAOYSA-N
XLogP4.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713
N-[(3-chlorophenyl)methyl]-1-cyanocyclohexane-1-carboxamide
CID 55071184
1-cyano-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80598717
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 60556255
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
CID 106899829
N,N-dimethyl-1-[[[N'-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111570451
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590
N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39856169
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 51090126) is 1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide is N#CC1(C(=O)NCc2cccc(COCc3ccccc3)c2)CCCC1.
What is the InChIKey of 1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is WQUFVCFKJUYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c23-17-22(11-4-5-12-22)21(25)24-14-19-9-6-10-20(13-19)16-26-15-18-7-2-1-3-8-18/h1-3,6-10,13H,4-5,11-12,14-16H2,(H,24,25).
What are the key properties of 1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 51090126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).