N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide

C24H24N4O3 — CID 91268345

IUPACN'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide
SMILESCC(CC(=O)NO)C(=O)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N4O3/c1-18(16-23(29)27-31)24(30)26-25-17-19-12-14-22(15-13-19)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-18,31H,16H2,1H3,(H,26,30)(H,27,29)
InChIKeySAOIERAFXCMQQT-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.14
Rot. Bonds8

About N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide

N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide (PubChem CID 91268345) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide
PubChem CID91268345
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide
SMILESCC(CC(=O)NO)C(=O)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N4O3/c1-18(16-23(29)27-31)24(30)26-25-17-19-12-14-22(15-13-19)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-18,31H,16H2,1H3,(H,26,30)(H,27,29)
InChIKeySAOIERAFXCMQQT-UHFFFAOYSA-N
XLogP4.14
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
CID 58350172
6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
CID 44621714
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
(2R)-N-[[4-(diethylamino)phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 828197
(2S)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(N-methylsulfonylanilino)propanamide
CID 40566756
trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium
CID 132568696
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 5499697
2-(4-tert-butylphenoxy)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide
CID 6901085
N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
CID 44507893
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
CID 45356630
ethyl N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]carbamate
CID 6268460

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide?
The IUPAC name of N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide (CID 91268345) is N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide.
What is the SMILES notation for N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide?
The canonical SMILES for N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide is CC(CC(=O)NO)C(=O)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide?
The InChIKey is SAOIERAFXCMQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-18(16-23(29)27-31)24(30)26-25-17-19-12-14-22(15-13-19)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-18,31H,16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide?
N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide has a molecular weight of 416.48 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide is sourced from PubChem (CID 91268345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).