2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide

C14H18N2O3 — CID 104981500

IUPAC2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@@H](CO)NC(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O3/c1-3-12(9-17)16-14(18)10(2)19-13-6-4-11(8-15)5-7-13/h4-7,10,12,17H,3,9H2,1-2H3,(H,16,18)/t10?,12-/m0/s1
InChIKeyQOIQECFQZVXARH-KFJBMODSSA-N
MW262.31 g/mol
LogP1.21
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide

2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide (PubChem CID 104981500) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
PubChem CID104981500
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@@H](CO)NC(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O3/c1-3-12(9-17)16-14(18)10(2)19-13-6-4-11(8-15)5-7-13/h4-7,10,12,17H,3,9H2,1-2H3,(H,16,18)/t10?,12-/m0/s1
InChIKeyQOIQECFQZVXARH-KFJBMODSSA-N
XLogP1.21
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.21
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
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 110931128
methyl 2-[2-(4-cyanophenoxy)propanoylamino]-3-methylpentanoate
CID 78771684
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 103944313
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide (CID 104981500) is 2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide is CC[C@@H](CO)NC(=O)C(C)Oc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
The InChIKey is QOIQECFQZVXARH-KFJBMODSSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-12(9-17)16-14(18)10(2)19-13-6-4-11(8-15)5-7-13/h4-7,10,12,17H,3,9H2,1-2H3,(H,16,18)/t10?,12-/m0/s1.
What are the key properties of 2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide has a molecular weight of 262.31 g/mol, XLogP of 1.21, 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-[(2S)-1-hydroxybutan-2-yl]propanamide is sourced from PubChem (CID 104981500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).