3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide

C20H18N2O2 — CID 6263341

IUPAC3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C\CCc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C20H18N2O2/c23-19-14-17-11-5-4-10-16(17)13-18(19)20(24)22-21-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-14,23H,6,9H2,(H,22,24)/b21-12-
InChIKeyDYURQUSBQQPEEI-MTJSOVHGSA-N
MW318.38 g/mol
LogP3.89
Rot. Bonds5

About 3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide (PubChem CID 6263341) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
PubChem CID6263341
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C\CCc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C20H18N2O2/c23-19-14-17-11-5-4-10-16(17)13-18(19)20(24)22-21-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-14,23H,6,9H2,(H,22,24)/b21-12-
InChIKeyDYURQUSBQQPEEI-MTJSOVHGSA-N
XLogP3.89
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-(1,2-diphenylethylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 141213886
3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
CID 3305343
4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
N-(3-phenylpropylideneamino)-2-pyridin-2-ylquinoline-4-carboxamide
CID 3304435
N-(3,7-dimethylocta-2,6-dienylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 3956222
N'-(3-phenylpropylideneamino)oxamide
CID 4674915
N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6736315
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide
CID 5127526

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide (CID 6263341) is 3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide is O=C(N/N=C\CCc1ccccc1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide?
The InChIKey is DYURQUSBQQPEEI-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19-14-17-11-5-4-10-16(17)13-18(19)20(24)22-21-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-14,23H,6,9H2,(H,22,24)/b21-12-.
What are the key properties of 3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6263341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).