5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide

C21H24N2O4 — CID 95783263

IUPAC5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCC1
InChIInChI=1S/C21H24N2O4/c1-21(25,16-7-3-4-8-16)14-23-20(24)19-11-10-17(27-19)13-26-18-9-5-2-6-15(18)12-22/h2,5-6,9-11,16,25H,3-4,7-8,13-14H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyDPSVQNQJAYQLRB-NRFANRHFSA-N
MW368.43 g/mol
LogP3.40
Rot. Bonds7

About 5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide (PubChem CID 95783263) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide
PubChem CID95783263
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCC1
InChIInChI=1S/C21H24N2O4/c1-21(25,16-7-3-4-8-16)14-23-20(24)19-11-10-17(27-19)13-26-18-9-5-2-6-15(18)12-22/h2,5-6,9-11,16,25H,3-4,7-8,13-14H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyDPSVQNQJAYQLRB-NRFANRHFSA-N
XLogP3.40
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 55873591
5-[(2-cyanophenoxy)methyl]-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 56814629
5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 52512133
5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide
CID 55843016
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170
5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide
CID 87024322
2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
N-(cyclobutylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95756411
5-[(2-cyanophenoxy)methyl]-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]furan-2-carboxamide
CID 55980089
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide (CID 95783263) is 5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide is C[C@](O)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCC1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide?
The InChIKey is DPSVQNQJAYQLRB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(25,16-7-3-4-8-16)14-23-20(24)19-11-10-17(27-19)13-26-18-9-5-2-6-15(18)12-22/h2,5-6,9-11,16,25H,3-4,7-8,13-14H2,1H3,(H,23,24)/t21-/m0/s1.
What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide?
5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide is sourced from PubChem (CID 95783263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).