2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide

C18H18N2O3 — CID 110931128

IUPAC2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(23-16-9-7-14(11-19)8-10-16)18(22)20-17(12-21)15-5-3-2-4-6-15/h2-10,13,17,21H,12H2,1H3,(H,20,22)
InChIKeySRTALYMHLLMDNQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.18
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide

2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide (PubChem CID 110931128) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
PubChem CID110931128
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(23-16-9-7-14(11-19)8-10-16)18(22)20-17(12-21)15-5-3-2-4-6-15/h2-10,13,17,21H,12H2,1H3,(H,20,22)
InChIKeySRTALYMHLLMDNQ-UHFFFAOYSA-N
XLogP2.18
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487270
2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 104981500
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate
CID 51256873
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
CID 51193139
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide (CID 110931128) is 2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NC(CO)c1ccccc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide?
The InChIKey is SRTALYMHLLMDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(23-16-9-7-14(11-19)8-10-16)18(22)20-17(12-21)15-5-3-2-4-6-15/h2-10,13,17,21H,12H2,1H3,(H,20,22).
What are the key properties of 2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide?
2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide has a molecular weight of 310.35 g/mol, XLogP of 2.18, 6 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-1-phenylethyl)propanamide is sourced from PubChem (CID 110931128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).