3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide

C20H18N2O2 — CID 3305343

IUPAC3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
SMILESCC(C=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1
InChIInChI=1S/C20H18N2O2/c1-14(15-7-3-2-4-8-15)13-21-22-20(24)18-11-16-9-5-6-10-17(16)12-19(18)23/h2-14,23H,1H3,(H,22,24)
InChIKeyRMISKIXZEVFNSL-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.06
Rot. Bonds4

About 3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide

3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide (PubChem CID 3305343) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
PubChem CID3305343
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
SMILESCC(C=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1
InChIInChI=1S/C20H18N2O2/c1-14(15-7-3-2-4-8-15)13-21-22-20(24)18-11-16-9-5-6-10-17(16)12-19(18)23/h2-14,23H,1H3,(H,22,24)
InChIKeyRMISKIXZEVFNSL-UHFFFAOYSA-N
XLogP4.06
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.06
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)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7788018
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7392408
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6736315
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
CID 6263341
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(E)-[(Z,2E)-2-ethylidenepent-3-enylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 144974001
3-hydroxy-N-[(Z)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 50856860

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide (CID 3305343) is 3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide is CC(C=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide?
The InChIKey is RMISKIXZEVFNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14(15-7-3-2-4-8-15)13-21-22-20(24)18-11-16-9-5-6-10-17(16)12-19(18)23/h2-14,23H,1H3,(H,22,24).
What are the key properties of 3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide?
3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide is sourced from PubChem (CID 3305343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).