N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide

C16H17N3O4 — CID 767055

IUPACN-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)NN=Cc2ccc(O)cc2O)cc1
InChIInChI=1S/C16H17N3O4/c1-23-14-6-3-12(4-7-14)17-10-16(22)19-18-9-11-2-5-13(20)8-15(11)21/h2-9,17,20-21H,10H2,1H3,(H,19,22)
InChIKeyKYAVOCZVZJHOQW-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.67
Rot. Bonds6

About N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide

N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide (PubChem CID 767055) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
PubChem CID767055
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)NN=Cc2ccc(O)cc2O)cc1
InChIInChI=1S/C16H17N3O4/c1-23-14-6-3-12(4-7-14)17-10-16(22)19-18-9-11-2-5-13(20)8-15(11)21/h2-9,17,20-21H,10H2,1H3,(H,19,22)
InChIKeyKYAVOCZVZJHOQW-UHFFFAOYSA-N
XLogP1.67
TPSA103.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135822031
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 137022225
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 3374779
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135678709
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide
CID 135884871
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
(2R)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)butanamide
CID 135764507
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide (CID 767055) is N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)NN=Cc2ccc(O)cc2O)cc1.
What is the InChIKey of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide?
The InChIKey is KYAVOCZVZJHOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-23-14-6-3-12(4-7-14)17-10-16(22)19-18-9-11-2-5-13(20)8-15(11)21/h2-9,17,20-21H,10H2,1H3,(H,19,22).
What are the key properties of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide?
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 767055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).