3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide

C16H17NO2 — CID 115628024

IUPAC3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
SMILESC/C=C/CCNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H17NO2/c1-2-3-6-9-17-16(19)14-10-12-7-4-5-8-13(12)11-15(14)18/h2-5,7-8,10-11,18H,6,9H2,1H3,(H,17,19)/b3-2+
InChIKeyUJBIRNDQSILXGQ-NSCUHMNNSA-N
MW255.32 g/mol
LogP3.24
Rot. Bonds4

About 3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide (PubChem CID 115628024) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
PubChem CID115628024
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
SMILESC/C=C/CCNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H17NO2/c1-2-3-6-9-17-16(19)14-10-12-7-4-5-8-13(12)11-15(14)18/h2-5,7-8,10-11,18H,6,9H2,1H3,(H,17,19)/b3-2+
InChIKeyUJBIRNDQSILXGQ-NSCUHMNNSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-pent-3-enyl]naphthalene-1-carboxamide
CID 113236419
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
CID 107723701
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
2-amino-N-[(E)-pent-3-enyl]benzamide
CID 115976398
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
N-ethyl-3-hydroxynaphthalene-2-carboxamide;(3Z,5Z)-hepta-1,3,5-triene
CID 143136838
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
CID 115604498
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide
CID 57112556

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide (CID 115628024) is 3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide is C/C=C/CCNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide?
The InChIKey is UJBIRNDQSILXGQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-3-6-9-17-16(19)14-10-12-7-4-5-8-13(12)11-15(14)18/h2-5,7-8,10-11,18H,6,9H2,1H3,(H,17,19)/b3-2+.
What are the key properties of 3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide is sourced from PubChem (CID 115628024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).