N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide

C19H21N3O3 — CID 94833201

IUPACN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide
SMILESCC(C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-14(2)19(24)22-20-12-15-8-10-17(11-9-15)25-13-18(23)21-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,21,23)(H,22,24)/b20-12+
InChIKeyQTCPFTNFJAVEGZ-UDWIEESQSA-N
MW339.40 g/mol
LogP2.81
Rot. Bonds7

About N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide

N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide (PubChem CID 94833201) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide
PubChem CID94833201
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide
SMILESCC(C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-14(2)19(24)22-20-12-15-8-10-17(11-9-15)25-13-18(23)21-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,21,23)(H,22,24)/b20-12+
InChIKeyQTCPFTNFJAVEGZ-UDWIEESQSA-N
XLogP2.81
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 94833202
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833111
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide
CID 11838881
N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 1105534
N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6091071
methyl 2-[4-[(E)-(2-methylpropanoylhydrazinylidene)methyl]phenoxy]acetate
CID 94833193
N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide
CID 3371497
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
CID 92850574
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 94832791
(2S)-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(N-methylsulfonylanilino)propanamide
CID 9498435

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide?
The IUPAC name of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide (CID 94833201) is N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide.
What is the SMILES notation for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide?
The canonical SMILES for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide is CC(C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide?
The InChIKey is QTCPFTNFJAVEGZ-UDWIEESQSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14(2)19(24)22-20-12-15-8-10-17(11-9-15)25-13-18(23)21-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,21,23)(H,22,24)/b20-12+.
What are the key properties of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide?
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide has a molecular weight of 339.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide is sourced from PubChem (CID 94833201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).