2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide

C20H24N2O3 — CID 17337787

IUPAC2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide
SMILESCCCCCC/C(=N\NC(=O)c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-3-4-8-11-18(15-9-6-5-7-10-15)21-22-20(25)17-14-16(23)12-13-19(17)24/h5-7,9-10,12-14,23-24H,2-4,8,11H2,1H3,(H,22,25)/b21-18+
InChIKeyDMYQXYOPPFFLLA-DYTRJAOYSA-N
MW340.42 g/mol
LogP4.20
Rot. Bonds8

About 2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide

2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide (PubChem CID 17337787) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide
PubChem CID17337787
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide
SMILESCCCCCC/C(=N\NC(=O)c1cc(O)ccc1O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-3-4-8-11-18(15-9-6-5-7-10-15)21-22-20(25)17-14-16(23)12-13-19(17)24/h5-7,9-10,12-14,23-24H,2-4,8,11H2,1H3,(H,22,25)/b21-18+
InChIKeyDMYQXYOPPFFLLA-DYTRJAOYSA-N
XLogP4.20
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

N-[(E)-hexan-2-ylideneamino]-2,5-dihydroxybenzamide
CID 17337785
N-(1-phenylpentylideneamino)octanamide
CID 4676930
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
1-(2,5-dihydroxyphenyl)dodecan-1-one
CID 14443793
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
N-(1-phenylhexylideneamino)-4-phenylmethoxybenzamide
CID 4933075
N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
CID 6234100
3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
CID 19685646
2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide (CID 17337787) is 2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide is CCCCCC/C(=N\NC(=O)c1cc(O)ccc1O)c1ccccc1.
What is the InChIKey of 2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide?
The InChIKey is DMYQXYOPPFFLLA-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-3-4-8-11-18(15-9-6-5-7-10-15)21-22-20(25)17-14-16(23)12-13-19(17)24/h5-7,9-10,12-14,23-24H,2-4,8,11H2,1H3,(H,22,25)/b21-18+.
What are the key properties of 2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide?
2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide has a molecular weight of 340.42 g/mol, XLogP of 4.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide is sourced from PubChem (CID 17337787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).