2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide

C19H20N2O4 — CID 141408132

IUPAC2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide
SMILESCCC/C(C)=N/NC(=O)c1cccc(C(=O)c2ccccc2O)c1O
InChIInChI=1S/C19H20N2O4/c1-3-7-12(2)20-21-19(25)15-10-6-9-14(18(15)24)17(23)13-8-4-5-11-16(13)22/h4-6,8-11,22,24H,3,7H2,1-2H3,(H,21,25)/b20-12+
InChIKeyRBZZWCUSUMBEQN-UDWIEESQSA-N
MW340.38 g/mol
LogP3.23
Rot. Bonds6

About 2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide

2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide (PubChem CID 141408132) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide
PubChem CID141408132
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide
SMILESCCC/C(C)=N/NC(=O)c1cccc(C(=O)c2ccccc2O)c1O
InChIInChI=1S/C19H20N2O4/c1-3-7-12(2)20-21-19(25)15-10-6-9-14(18(15)24)17(23)13-8-4-5-11-16(13)22/h4-6,8-11,22,24H,3,7H2,1-2H3,(H,21,25)/b20-12+
InChIKeyRBZZWCUSUMBEQN-UDWIEESQSA-N
XLogP3.23
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide
CID 151685716
N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide
CID 54785708
N-(butan-2-ylideneamino)naphthalene-1-carboxamide
CID 4560020
N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
CID 4287242
N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide
CID 17337785
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
CID 142204388
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5371078
2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9077909
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide?
The IUPAC name of 2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide (CID 141408132) is 2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide is CCC/C(C)=N/NC(=O)c1cccc(C(=O)c2ccccc2O)c1O.
What is the InChIKey of 2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide?
The InChIKey is RBZZWCUSUMBEQN-UDWIEESQSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-7-12(2)20-21-19(25)15-10-6-9-14(18(15)24)17(23)13-8-4-5-11-16(13)22/h4-6,8-11,22,24H,3,7H2,1-2H3,(H,21,25)/b20-12+.
What are the key properties of 2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide?
2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide has a molecular weight of 340.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide is sourced from PubChem (CID 141408132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).