N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide

C20H21N3O3 — CID 136806655

IUPACN-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide
SMILESC=CCc1cccc(C=NNC(=O)C(=O)Nc2ccc(CC)cc2)c1O
InChIInChI=1S/C20H21N3O3/c1-3-6-15-7-5-8-16(18(15)24)13-21-23-20(26)19(25)22-17-11-9-14(4-2)10-12-17/h3,5,7-13,24H,1,4,6H2,2H3,(H,22,25)(H,23,26)
InChIKeyXESPWAXQGGVAKP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.77
Rot. Bonds6

About N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide

N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide (PubChem CID 136806655) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide
PubChem CID136806655
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide
SMILESC=CCc1cccc(C=NNC(=O)C(=O)Nc2ccc(CC)cc2)c1O
InChIInChI=1S/C20H21N3O3/c1-3-6-15-7-5-8-16(18(15)24)13-21-23-20(26)19(25)22-17-11-9-14(4-2)10-12-17/h3,5,7-13,24H,1,4,6H2,2H3,(H,22,25)(H,23,26)
InChIKeyXESPWAXQGGVAKP-UHFFFAOYSA-N
XLogP2.77
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
N-[(1E)-2-(2-hydroxyphenyl)-1-azaprop-1-enyl]-2-[(methylsulfonyl)phenylamino]a cetamide
CID 135519931
4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
1,2-Dihydro-4-(((2-hydroxyphenyl)methylene)amino)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 207856
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
4-[(2-Hydroxy-3-prop-2-enylphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 753624
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420009
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
N'-(3-allyl-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135425036

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide (CID 136806655) is N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide is C=CCc1cccc(C=NNC(=O)C(=O)Nc2ccc(CC)cc2)c1O.
What is the InChIKey of N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide?
The InChIKey is XESPWAXQGGVAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-6-15-7-5-8-16(18(15)24)13-21-23-20(26)19(25)22-17-11-9-14(4-2)10-12-17/h3,5,7-13,24H,1,4,6H2,2H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide?
N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide has a molecular weight of 351.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N'-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 136806655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).