N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide

C20H20N2O3 — CID 110907346

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)C3(O)CCCC3)c2)c1
InChIInChI=1S/C20H20N2O3/c21-13-15-5-3-6-16(11-15)14-25-18-8-4-7-17(12-18)22-19(23)20(24)9-1-2-10-20/h3-8,11-12,24H,1-2,9-10,14H2,(H,22,23)
InChIKeyGEUMCLXDNFPSRY-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.38
Rot. Bonds5

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide (PubChem CID 110907346) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
PubChem CID110907346
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)C3(O)CCCC3)c2)c1
InChIInChI=1S/C20H20N2O3/c21-13-15-5-3-6-16(11-15)14-25-18-8-4-7-17(12-18)22-19(23)20(24)9-1-2-10-20/h3-8,11-12,24H,1-2,9-10,14H2,(H,22,23)
InChIKeyGEUMCLXDNFPSRY-UHFFFAOYSA-N
XLogP3.38
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598
3-[[3-[[(1-hydroxycycloheptyl)methylamino]methyl]phenoxy]methyl]benzonitrile
CID 166209562
N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide
CID 47042118
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 55689140
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 39500283
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110929038
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
3-(1,3-benzodioxol-5-yl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]propanamide
CID 39500255
N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
CID 52703472
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide (CID 110907346) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide is N#Cc1cccc(COc2cccc(NC(=O)C3(O)CCCC3)c2)c1.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide?
The InChIKey is GEUMCLXDNFPSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c21-13-15-5-3-6-16(11-15)14-25-18-8-4-7-17(12-18)22-19(23)20(24)9-1-2-10-20/h3-8,11-12,24H,1-2,9-10,14H2,(H,22,23).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110907346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).