3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide

C24H18N2O5 — CID 172940474

IUPAC3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(OCc2coc3ccccc3c2=O)c1)c1cccc(O)c1
InChIInChI=1S/C24H18N2O5/c27-19-7-4-6-17(12-19)24(29)26-25-13-16-5-3-8-20(11-16)30-14-18-15-31-22-10-2-1-9-21(22)23(18)28/h1-13,15,27H,14H2,(H,26,29)/b25-13+
InChIKeyACGXYHAHUGRKDQ-DHRITJCHSA-N
MW414.42 g/mol
LogP3.84
Rot. Bonds6

About 3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide

3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 172940474) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID172940474
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(OCc2coc3ccccc3c2=O)c1)c1cccc(O)c1
InChIInChI=1S/C24H18N2O5/c27-19-7-4-6-17(12-19)24(29)26-25-13-16-5-3-8-20(11-16)30-14-18-15-31-22-10-2-1-9-21(22)23(18)28/h1-13,15,27H,14H2,(H,26,29)/b25-13+
InChIKeyACGXYHAHUGRKDQ-DHRITJCHSA-N
XLogP3.84
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide
CID 26871479
3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17126659
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94847929
4-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126375379
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide
CID 155490492
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658986
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
3-acetamido-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3569074
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide (CID 172940474) is 3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C/c1cccc(OCc2coc3ccccc3c2=O)c1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is ACGXYHAHUGRKDQ-DHRITJCHSA-N. The full InChI is InChI=1S/C24H18N2O5/c27-19-7-4-6-17(12-19)24(29)26-25-13-16-5-3-8-20(11-16)30-14-18-15-31-22-10-2-1-9-21(22)23(18)28/h1-13,15,27H,14H2,(H,26,29)/b25-13+.
What are the key properties of 3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide?
3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 414.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 172940474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).