1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone

C18H15NO3 — CID 19824345

IUPAC1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone
SMILESO=C(CNc1ccc2ccccc2c1)c1ccc(O)c(O)c1
InChIInChI=1S/C18H15NO3/c20-16-8-6-14(10-17(16)21)18(22)11-19-15-7-5-12-3-1-2-4-13(12)9-15/h1-10,19-21H,11H2
InChIKeyIMPLFCRQZPCSGJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.55
Rot. Bonds4

About 1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone

1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone (PubChem CID 19824345) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone
PubChem CID19824345
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone
SMILESO=C(CNc1ccc2ccccc2c1)c1ccc(O)c(O)c1
InChIInChI=1S/C18H15NO3/c20-16-8-6-14(10-17(16)21)18(22)11-19-15-7-5-12-3-1-2-4-13(12)9-15/h1-10,19-21H,11H2
InChIKeyIMPLFCRQZPCSGJ-UHFFFAOYSA-N
XLogP3.55
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone
CID 21230995
1-(3,4-dihydroxyphenyl)-2-(pyridin-4-ylamino)ethanone;dihydrochloride
CID 25067471
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135473296
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 687876
1-(3,4-dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone;hydrochloride
CID 54602396
2-(naphthalen-2-ylamino)acetyl cyanide
CID 100819015
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino]acetic acid
CID 45092844
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
N-(4-fluorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082682
2-(naphthalen-2-ylamino)-N-propylacetamide
CID 43400801

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone?
The IUPAC name of 1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone (CID 19824345) is 1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone is O=C(CNc1ccc2ccccc2c1)c1ccc(O)c(O)c1.
What is the InChIKey of 1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone?
The InChIKey is IMPLFCRQZPCSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-16-8-6-14(10-17(16)21)18(22)11-19-15-7-5-12-3-1-2-4-13(12)9-15/h1-10,19-21H,11H2.
What are the key properties of 1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone?
1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone has a molecular weight of 293.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone is sourced from PubChem (CID 19824345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).