2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide

C13H16N2O4 — CID 65315312

IUPAC2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NC(CO)CO
InChIInChI=1S/C13H16N2O4/c1-9(13(18)15-11(7-16)8-17)19-12-4-2-10(6-14)3-5-12/h2-5,9,11,16-17H,7-8H2,1H3,(H,15,18)
InChIKeyFSYVVKFWVKUKRM-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.21
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide

2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide (PubChem CID 65315312) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
PubChem CID65315312
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NC(CO)CO
InChIInChI=1S/C13H16N2O4/c1-9(13(18)15-11(7-16)8-17)19-12-4-2-10(6-14)3-5-12/h2-5,9,11,16-17H,7-8H2,1H3,(H,15,18)
InChIKeyFSYVVKFWVKUKRM-UHFFFAOYSA-N
XLogP-0.21
TPSA102.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 104981500
2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 110931128
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
methyl 2-[2-(4-cyanophenoxy)propanoylamino]-3-methylpentanoate
CID 78771684
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287
2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80716354
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide (CID 65315312) is 2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NC(CO)CO.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide?
The InChIKey is FSYVVKFWVKUKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(13(18)15-11(7-16)8-17)19-12-4-2-10(6-14)3-5-12/h2-5,9,11,16-17H,7-8H2,1H3,(H,15,18).
What are the key properties of 2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide?
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide has a molecular weight of 264.28 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide is sourced from PubChem (CID 65315312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).