naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate

C22H15NO3 — CID 174648773

IUPACnaphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate
SMILESNc1cccc2c(C(=O)OC(=O)c3cccc4ccccc34)cccc12
InChIInChI=1S/C22H15NO3/c23-20-13-5-9-16-17(20)10-4-12-19(16)22(25)26-21(24)18-11-3-7-14-6-1-2-8-15(14)18/h1-13H,23H2
InChIKeyUZSQFAKAERFUEP-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.57
Rot. Bonds2

About naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate

naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate (PubChem CID 174648773) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate.

Molecular Properties

Compound Namenaphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate
PubChem CID174648773
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Namenaphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate
SMILESNc1cccc2c(C(=O)OC(=O)c3cccc4ccccc34)cccc12
InChIInChI=1S/C22H15NO3/c23-20-13-5-9-16-17(20)10-4-12-19(16)22(25)26-21(24)18-11-3-7-14-6-1-2-8-15(14)18/h1-13H,23H2
InChIKeyUZSQFAKAERFUEP-UHFFFAOYSA-N
XLogP4.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043
[4-amino-3-(1-aminoethyl)benzoyl] naphthalene-1-carboxylate
CID 88677057
bromo naphthalene-1-carboxylate
CID 68796403
(3-methylbenzoyl) naphthalene-1-carboxylate
CID 87635030
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
cyanomethyl naphthalene-1-carboxylate
CID 2477503
1-O-(4-ethenylbenzoyl) 2-O-(naphthalene-1-carbonyl) benzene-1,2-dicarboxylate
CID 88527095
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
(5-chloronaphthalene-1-carbonyl) 5-chloronaphthalene-1-carboxylate
CID 87755964
ethyl chrysene-1-carboxylate
CID 86251232

Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate?
The IUPAC name of naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate (CID 174648773) is naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate.
What is the SMILES notation for naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate?
The canonical SMILES for naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate is Nc1cccc2c(C(=O)OC(=O)c3cccc4ccccc34)cccc12.
What is the InChIKey of naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate?
The InChIKey is UZSQFAKAERFUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c23-20-13-5-9-16-17(20)10-4-12-19(16)22(25)26-21(24)18-11-3-7-14-6-1-2-8-15(14)18/h1-13H,23H2.
What are the key properties of naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate?
naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate is sourced from PubChem (CID 174648773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).