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

C19H18N2O3 — CID 110903565

IUPAC2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C19H18N2O3/c1-12(24-17-9-5-3-7-14(17)11-20)19(23)21-18-15-8-4-2-6-13(15)10-16(18)22/h2-9,12,16,18,22H,10H2,1H3,(H,21,23)
InChIKeyJXQCRTATOOBXGA-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.10
Rot. Bonds4

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

2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 110903565) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID110903565
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C19H18N2O3/c1-12(24-17-9-5-3-7-14(17)11-20)19(23)21-18-15-8-4-2-6-13(15)10-16(18)22/h2-9,12,16,18,22H,10H2,1H3,(H,21,23)
InChIKeyJXQCRTATOOBXGA-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-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 110896882
(2R)-2-(2-cyanophenoxy)-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]propanamide
CID 100839950
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
4-[2-(2-cyanophenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230368
cis-(1R,3S)-3-[2-(2-cyanophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120677894
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
2-acetamido-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103819065
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-acetamido-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103625684

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide (CID 110903565) is 2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide is CC(Oc1ccccc1C#N)C(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is JXQCRTATOOBXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(24-17-9-5-3-7-14(17)11-20)19(23)21-18-15-8-4-2-6-13(15)10-16(18)22/h2-9,12,16,18,22H,10H2,1H3,(H,21,23).
What are the key properties of 2-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
2-(2-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-(2-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 110903565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).