2-(4-hydroxynaphthalen-1-yl)oxypropanamide

C13H13NO3 — CID 91696699

IUPAC2-(4-hydroxynaphthalen-1-yl)oxypropanamide
SMILESCC(Oc1ccc(O)c2ccccc12)C(N)=O
InChIInChI=1S/C13H13NO3/c1-8(13(14)16)17-12-7-6-11(15)9-4-2-3-5-10(9)12/h2-8,15H,1H3,(H2,14,16)
InChIKeyYGWKVBTZTPTQTN-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.80
Rot. Bonds3

About 2-(4-hydroxynaphthalen-1-yl)oxypropanamide

2-(4-hydroxynaphthalen-1-yl)oxypropanamide (PubChem CID 91696699) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(4-hydroxynaphthalen-1-yl)oxypropanamide.

Molecular Properties

Compound Name2-(4-hydroxynaphthalen-1-yl)oxypropanamide
PubChem CID91696699
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(4-hydroxynaphthalen-1-yl)oxypropanamide
SMILESCC(Oc1ccc(O)c2ccccc12)C(N)=O
InChIInChI=1S/C13H13NO3/c1-8(13(14)16)17-12-7-6-11(15)9-4-2-3-5-10(9)12/h2-8,15H,1H3,(H2,14,16)
InChIKeyYGWKVBTZTPTQTN-UHFFFAOYSA-N
XLogP1.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid
CID 80689283
2-methylpropane;naphthalene-1,4-diol
CID 144756444
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43141884
(4-hydroxynaphthalen-1-yl) 2-iodobutanoate
CID 126723618
ethyl 2-[4-[4,6-bis[4-(1-ethoxy-1-oxopropan-2-yl)oxynaphthalen-1-yl]-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
CID 135553630
2-(2-propan-2-yl-4-sulfamoylphenoxy)propanamide
CID 82914671
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
methyl 2-(4-nitronaphthalen-1-yl)oxypropanoate
CID 63690119
2-(2,3-difluorophenoxy)propanamide
CID 63038540
ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate
CID 11427072
(2S)-2-(4-nitronaphthalen-1-yl)oxypropanoic acid
CID 98580976

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxynaphthalen-1-yl)oxypropanamide?
The IUPAC name of 2-(4-hydroxynaphthalen-1-yl)oxypropanamide (CID 91696699) is 2-(4-hydroxynaphthalen-1-yl)oxypropanamide.
What is the SMILES notation for 2-(4-hydroxynaphthalen-1-yl)oxypropanamide?
The canonical SMILES for 2-(4-hydroxynaphthalen-1-yl)oxypropanamide is CC(Oc1ccc(O)c2ccccc12)C(N)=O.
What is the InChIKey of 2-(4-hydroxynaphthalen-1-yl)oxypropanamide?
The InChIKey is YGWKVBTZTPTQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8(13(14)16)17-12-7-6-11(15)9-4-2-3-5-10(9)12/h2-8,15H,1H3,(H2,14,16).
What are the key properties of 2-(4-hydroxynaphthalen-1-yl)oxypropanamide?
2-(4-hydroxynaphthalen-1-yl)oxypropanamide has a molecular weight of 231.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxynaphthalen-1-yl)oxypropanamide is sourced from PubChem (CID 91696699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).