N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide

C16H16N2O3 — CID 968721

IUPACN-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-15-8-4-12(5-9-15)10-16(20)18-17-11-13-2-6-14(19)7-3-13/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyBJQLPTQWRGMDSY-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.09
Rot. Bonds5

About N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 968721) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID968721
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-15-8-4-12(5-9-15)10-16(20)18-17-11-13-2-6-14(19)7-3-13/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyBJQLPTQWRGMDSY-UHFFFAOYSA-N
XLogP2.09
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110515633
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 5428293
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968719
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 135821327
ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 21370822

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 968721) is N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NN=Cc2ccc(O)cc2)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is BJQLPTQWRGMDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-15-8-4-12(5-9-15)10-16(20)18-17-11-13-2-6-14(19)7-3-13/h2-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 968721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).