1,4,5,8-tetramethoxynaphthalene-2-carboxamide

C15H17NO5 — CID 15362247

IUPAC1,4,5,8-tetramethoxynaphthalene-2-carboxamide
SMILESCOc1ccc(OC)c2c(OC)c(C(N)=O)cc(OC)c12
InChIInChI=1S/C15H17NO5/c1-18-9-5-6-10(19-2)13-12(9)11(20-3)7-8(15(16)17)14(13)21-4/h5-7H,1-4H3,(H2,16,17)
InChIKeyYBNLBYYQHSNXOQ-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.97
Rot. Bonds5

About 1,4,5,8-tetramethoxynaphthalene-2-carboxamide

1,4,5,8-tetramethoxynaphthalene-2-carboxamide (PubChem CID 15362247) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 1,4,5,8-tetramethoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name1,4,5,8-tetramethoxynaphthalene-2-carboxamide
PubChem CID15362247
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name1,4,5,8-tetramethoxynaphthalene-2-carboxamide
SMILESCOc1ccc(OC)c2c(OC)c(C(N)=O)cc(OC)c12
InChIInChI=1S/C15H17NO5/c1-18-9-5-6-10(19-2)13-12(9)11(20-3)7-8(15(16)17)14(13)21-4/h5-7H,1-4H3,(H2,16,17)
InChIKeyYBNLBYYQHSNXOQ-UHFFFAOYSA-N
XLogP1.97
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321
1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one
CID 10834959
2,5-dimethoxy-4-methylbenzamide
CID 82491295
4-bromo-3-fluoro-5-methoxy-2-methylbenzamide
CID 87278963
[1-(1,4,5,8-tetramethoxynaphthalen-2-yl)undecylideneamino] propanoate
CID 142629404
6-carbamoyl-2,3-dimethoxybenzoic acid
CID 90976735
3-amino-2-methoxy-5-methylbenzamide
CID 50882289
2,3-dimethoxybenzamide;hydrate
CID 141005510
4-chloro-2-methoxybenzamide
CID 19741766
1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane
CID 174728392
1,4,5,8-tetramethoxynaphthalene
CID 10220551
2-ethoxy-3,4-dimethoxybenzamide
CID 141309813

Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetramethoxynaphthalene-2-carboxamide?
The IUPAC name of 1,4,5,8-tetramethoxynaphthalene-2-carboxamide (CID 15362247) is 1,4,5,8-tetramethoxynaphthalene-2-carboxamide.
What is the SMILES notation for 1,4,5,8-tetramethoxynaphthalene-2-carboxamide?
The canonical SMILES for 1,4,5,8-tetramethoxynaphthalene-2-carboxamide is COc1ccc(OC)c2c(OC)c(C(N)=O)cc(OC)c12.
What is the InChIKey of 1,4,5,8-tetramethoxynaphthalene-2-carboxamide?
The InChIKey is YBNLBYYQHSNXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-18-9-5-6-10(19-2)13-12(9)11(20-3)7-8(15(16)17)14(13)21-4/h5-7H,1-4H3,(H2,16,17).
What are the key properties of 1,4,5,8-tetramethoxynaphthalene-2-carboxamide?
1,4,5,8-tetramethoxynaphthalene-2-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetramethoxynaphthalene-2-carboxamide is sourced from PubChem (CID 15362247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).