3-hydroxynaphthalene-2,7-dicarboxamide;propane

C15H18N2O3 — CID 91265869

IUPAC3-hydroxynaphthalene-2,7-dicarboxamide;propane
SMILESCCC.NC(=O)c1ccc2cc(O)c(C(N)=O)cc2c1
InChIInChI=1S/C12H10N2O3.C3H8/c13-11(16)7-2-1-6-5-10(15)9(12(14)17)4-8(6)3-7;1-3-2/h1-5,15H,(H2,13,16)(H2,14,17);3H2,1-2H3
InChIKeyMCXCCFOFBHZVHL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.16
Rot. Bonds2

About 3-hydroxynaphthalene-2,7-dicarboxamide;propane

3-hydroxynaphthalene-2,7-dicarboxamide;propane (PubChem CID 91265869) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-hydroxynaphthalene-2,7-dicarboxamide;propane.

Molecular Properties

Compound Name3-hydroxynaphthalene-2,7-dicarboxamide;propane
PubChem CID91265869
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-hydroxynaphthalene-2,7-dicarboxamide;propane
SMILESCCC.NC(=O)c1ccc2cc(O)c(C(N)=O)cc2c1
InChIInChI=1S/C12H10N2O3.C3H8/c13-11(16)7-2-1-6-5-10(15)9(12(14)17)4-8(6)3-7;1-3-2/h1-5,15H,(H2,13,16)(H2,14,17);3H2,1-2H3
InChIKeyMCXCCFOFBHZVHL-UHFFFAOYSA-N
XLogP2.16
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 24890587
3-hydroxynaphthalene-2-carboxamide
CID 19317
3-methoxynaphthalene-2,7-dicarboxamide
CID 23118701
tetracene-2-carboxamide;hydrobromide
CID 22400124
3-hydroxynaphthalene-2,7-dicarbohydrazide
CID 23149584
3-dodecoxynaphthalene-2,7-dicarboxamide
CID 86025040
3-hydroxy-2-N,7-N-dimethylnaphthalene-2,7-dicarboxamide
CID 59002091
7-chloro-3,6-dihydroxynaphthalene-2-carboxamide
CID 121473408
dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 21191991
6-bromo-3-methylnaphthalene-2-carboxamide
CID 20595138
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-hexylnaphthalene-2,6-dicarboxamide
CID 141060684

Frequently Asked Questions

What is the IUPAC name of 3-hydroxynaphthalene-2,7-dicarboxamide;propane?
The IUPAC name of 3-hydroxynaphthalene-2,7-dicarboxamide;propane (CID 91265869) is 3-hydroxynaphthalene-2,7-dicarboxamide;propane.
What is the SMILES notation for 3-hydroxynaphthalene-2,7-dicarboxamide;propane?
The canonical SMILES for 3-hydroxynaphthalene-2,7-dicarboxamide;propane is CCC.NC(=O)c1ccc2cc(O)c(C(N)=O)cc2c1.
What is the InChIKey of 3-hydroxynaphthalene-2,7-dicarboxamide;propane?
The InChIKey is MCXCCFOFBHZVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3.C3H8/c13-11(16)7-2-1-6-5-10(15)9(12(14)17)4-8(6)3-7;1-3-2/h1-5,15H,(H2,13,16)(H2,14,17);3H2,1-2H3.
What are the key properties of 3-hydroxynaphthalene-2,7-dicarboxamide;propane?
3-hydroxynaphthalene-2,7-dicarboxamide;propane has a molecular weight of 274.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxynaphthalene-2,7-dicarboxamide;propane is sourced from PubChem (CID 91265869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).