2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide

C19H18N2O3 — CID 110896882

IUPAC2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C19H18N2O3/c1-12(24-15-8-6-13(11-20)7-9-15)19(23)21-18-16-5-3-2-4-14(16)10-17(18)22/h2-9,12,17-18,22H,10H2,1H3,(H,21,23)
InChIKeyGOLQLSIDCVGTNF-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.10
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide

2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 110896882) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID110896882
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C19H18N2O3/c1-12(24-15-8-6-13(11-20)7-9-15)19(23)21-18-16-5-3-2-4-14(16)10-17(18)22/h2-9,12,17-18,22H,10H2,1H3,(H,21,23)
InChIKeyGOLQLSIDCVGTNF-UHFFFAOYSA-N
XLogP2.10
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 110903565
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
2-acetamido-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103625684
2-acetamido-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103819065
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
(2R)-2-(4-cyanophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 94818114
(2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide
CID 94818111
3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816870
N-[1-(1-adamantyl)ethyl]-2-(4-cyanophenoxy)propanamide
CID 55329308

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide (CID 110896882) is 2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is GOLQLSIDCVGTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(24-15-8-6-13(11-20)7-9-15)19(23)21-18-16-5-3-2-4-14(16)10-17(18)22/h2-9,12,17-18,22H,10H2,1H3,(H,21,23).
What are the key properties of 2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 110896882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).