N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide

C21H18N2O2 — CID 136663063

IUPACN-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESC=CCc1cccc(/C=N\NC(=O)c2cccc3ccccc23)c1O
InChIInChI=1S/C21H18N2O2/c1-2-7-16-10-5-11-17(20(16)24)14-22-23-21(25)19-13-6-9-15-8-3-4-12-18(15)19/h2-6,8-14,24H,1,7H2,(H,23,25)/b22-14-
InChIKeyCTTJKWFTGGLAET-HMAPJEAMSA-N
MW330.39 g/mol
LogP4.04
Rot. Bonds5

About N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide

N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 136663063) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID136663063
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESC=CCc1cccc(/C=N\NC(=O)c2cccc3ccccc23)c1O
InChIInChI=1S/C21H18N2O2/c1-2-7-16-10-5-11-17(20(16)24)14-22-23-21(25)19-13-6-9-15-8-3-4-12-18(15)19/h2-6,8-14,24H,1,7H2,(H,23,25)/b22-14-
InChIKeyCTTJKWFTGGLAET-HMAPJEAMSA-N
XLogP4.04
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 5056113
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 135472749
5-bromo-2-hydroxy-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 1120113
3,5-dibromo-2-hydroxy-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 2180490
2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135615945
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135738394
3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135957409
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
2-[(Z)-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 136912023

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide (CID 136663063) is N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide is C=CCc1cccc(/C=N\NC(=O)c2cccc3ccccc23)c1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is CTTJKWFTGGLAET-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-2-7-16-10-5-11-17(20(16)24)14-22-23-21(25)19-13-6-9-15-8-3-4-12-18(15)19/h2-6,8-14,24H,1,7H2,(H,23,25)/b22-14-.
What are the key properties of N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 136663063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).