1,4-dihydroxy-N-octylnaphthalene-2-carboxamide

C19H25NO3 — CID 139806223

IUPAC1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
SMILESCCCCCCCCNC(=O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-9-12-20-19(23)16-13-17(21)14-10-7-8-11-15(14)18(16)22/h7-8,10-11,13,21-22H,2-6,9,12H2,1H3,(H,20,23)
InChIKeySXYPKOSVOYRULT-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.34
Rot. Bonds8

About 1,4-dihydroxy-N-octylnaphthalene-2-carboxamide

1,4-dihydroxy-N-octylnaphthalene-2-carboxamide (PubChem CID 139806223) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1,4-dihydroxy-N-octylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
PubChem CID139806223
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
SMILESCCCCCCCCNC(=O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-9-12-20-19(23)16-13-17(21)14-10-7-8-11-15(14)18(16)22/h7-8,10-11,13,21-22H,2-6,9,12H2,1H3,(H,20,23)
InChIKeySXYPKOSVOYRULT-UHFFFAOYSA-N
XLogP4.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide
CID 23456855
4-hydroxy-3-(octadecylcarbamoyl)naphthalene-1-sulfonic acid
CID 3709167
4-hydroxy-N-pentylnaphthalene-1-carboxamide
CID 139771877
hexadecyl [3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl] carbonate
CID 59109670
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-(pentylcarbamoyl)benzoate
CID 7429981
2-(nonylcarbamoyl)benzoic acid
CID 177437719
[2-(butylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553014
2-[3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxyethylsulfanyl acetate
CID 170850231
1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189
2-[2-[3-(3-dodecoxypropylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxyethoxy]acetic acid
CID 59079335

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-N-octylnaphthalene-2-carboxamide?
The IUPAC name of 1,4-dihydroxy-N-octylnaphthalene-2-carboxamide (CID 139806223) is 1,4-dihydroxy-N-octylnaphthalene-2-carboxamide.
What is the SMILES notation for 1,4-dihydroxy-N-octylnaphthalene-2-carboxamide?
The canonical SMILES for 1,4-dihydroxy-N-octylnaphthalene-2-carboxamide is CCCCCCCCNC(=O)c1cc(O)c2ccccc2c1O.
What is the InChIKey of 1,4-dihydroxy-N-octylnaphthalene-2-carboxamide?
The InChIKey is SXYPKOSVOYRULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-3-4-5-6-9-12-20-19(23)16-13-17(21)14-10-7-8-11-15(14)18(16)22/h7-8,10-11,13,21-22H,2-6,9,12H2,1H3,(H,20,23).
What are the key properties of 1,4-dihydroxy-N-octylnaphthalene-2-carboxamide?
1,4-dihydroxy-N-octylnaphthalene-2-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-N-octylnaphthalene-2-carboxamide is sourced from PubChem (CID 139806223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).