N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene

C20H23NO2 — CID 143136838

IUPACN-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.CCNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C13H13NO2.C7H10/c1-2-14-13(16)11-7-9-5-3-4-6-10(9)8-12(11)15;1-3-5-7-6-4-2/h3-8,15H,2H2,1H3,(H,14,16);3-7H,1H2,2H3/b;6-4-,7-5-
InChIKeyXDZFEXKRLDRZIK-WRFMUYTLSA-N
MW309.41 g/mol
LogP4.60
Rot. Bonds4

About N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene

N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene (PubChem CID 143136838) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene.

Molecular Properties

Compound NameN-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene
PubChem CID143136838
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.CCNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C13H13NO2.C7H10/c1-2-14-13(16)11-7-9-5-3-4-6-10(9)8-12(11)15;1-3-5-7-6-4-2/h3-8,15H,2H2,1H3,(H,14,16);3-7H,1H2,2H3/b;6-4-,7-5-
InChIKeyXDZFEXKRLDRZIK-WRFMUYTLSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
N-ethyl-3-trimethylsilylnaphthalene-2-carboxamide
CID 19602324
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 41276041
3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 43403898
3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 115665358
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea
CID 3964823
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
3-hydroxy-N-methyl-N-propylnaphthalene-2-carboxamide
CID 43624990
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene?
The IUPAC name of N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene (CID 143136838) is N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene.
What is the SMILES notation for N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene?
The canonical SMILES for N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene is C=C/C=C\C=C/C.CCNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene?
The InChIKey is XDZFEXKRLDRZIK-WRFMUYTLSA-N. The full InChI is InChI=1S/C13H13NO2.C7H10/c1-2-14-13(16)11-7-9-5-3-4-6-10(9)8-12(11)15;1-3-5-7-6-4-2/h3-8,15H,2H2,1H3,(H,14,16);3-7H,1H2,2H3/b;6-4-,7-5-.
What are the key properties of N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene?
N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene has a molecular weight of 309.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene is sourced from PubChem (CID 143136838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).