3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide

C19H20N2O4 — CID 111464262

IUPAC3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide
SMILESN#Cc1cccc(OCc2ccoc2C(=O)NCC2CCCC2O)c1
InChIInChI=1S/C19H20N2O4/c20-10-13-3-1-5-16(9-13)25-12-15-7-8-24-18(15)19(23)21-11-14-4-2-6-17(14)22/h1,3,5,7-9,14,17,22H,2,4,6,11-12H2,(H,21,23)
InChIKeyRTKWAFHRUMITTO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds6

About 3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide

3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide (PubChem CID 111464262) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide
PubChem CID111464262
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide
SMILESN#Cc1cccc(OCc2ccoc2C(=O)NCC2CCCC2O)c1
InChIInChI=1S/C19H20N2O4/c20-10-13-3-1-5-16(9-13)25-12-15-7-8-24-18(15)19(23)21-11-14-4-2-6-17(14)22/h1,3,5,7-9,14,17,22H,2,4,6,11-12H2,(H,21,23)
InChIKeyRTKWAFHRUMITTO-UHFFFAOYSA-N
XLogP2.62
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(2S)-2-methylpiperidine-1-carbonyl]furan-3-yl]methoxy]benzonitrile
CID 95160182
N-(oxolan-2-ylmethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 43044718
3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide
CID 86971496
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675727
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56533885
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
3-[(3-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 63577037
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56555280
methyl 2-[2-[(3-cyanophenoxy)methyl]phenyl]acetate
CID 115460593

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide?
The IUPAC name of 3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide (CID 111464262) is 3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide?
The canonical SMILES for 3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide is N#Cc1cccc(OCc2ccoc2C(=O)NCC2CCCC2O)c1.
What is the InChIKey of 3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide?
The InChIKey is RTKWAFHRUMITTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c20-10-13-3-1-5-16(9-13)25-12-15-7-8-24-18(15)19(23)21-11-14-4-2-6-17(14)22/h1,3,5,7-9,14,17,22H,2,4,6,11-12H2,(H,21,23).
What are the key properties of 3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide?
3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanophenoxy)methyl]-N-[(2-hydroxycyclopentyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 111464262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).