N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

C22H26N4O3 — CID 135647011

IUPACN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)C2C(=O)NCC2c2ccccc2)c(O)c1
InChIInChI=1S/C22H26N4O3/c1-3-26(4-2)17-11-10-16(19(27)12-17)13-24-25-22(29)20-18(14-23-21(20)28)15-8-6-5-7-9-15/h5-13,18,20,27H,3-4,14H2,1-2H3,(H,23,28)(H,25,29)/b24-13-
InChIKeyLNPSZOXTRFCZMQ-CFRMEGHHSA-N
MW394.48 g/mol
LogP2.22
Rot. Bonds7

About N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (PubChem CID 135647011) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
PubChem CID135647011
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)C2C(=O)NCC2c2ccccc2)c(O)c1
InChIInChI=1S/C22H26N4O3/c1-3-26(4-2)17-11-10-16(19(27)12-17)13-24-25-22(29)20-18(14-23-21(20)28)15-8-6-5-7-9-15/h5-13,18,20,27H,3-4,14H2,1-2H3,(H,23,28)(H,25,29)/b24-13-
InChIKeyLNPSZOXTRFCZMQ-CFRMEGHHSA-N
XLogP2.22
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
1-(4-fluorophenyl)-N'-(2-hydroxybenzylidene)-5-oxo-3-pyrrolidinecarbohydrazide
CID 135536624
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
Benzylidenehydrazine derivative, 13
CID 135922678
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468
N'-(3-allyl-2-hydroxybenzylidene)-4-[(4-methylphenyl)amino]butanohydrazide
CID 135425036
2-{[4-(diethylamino)-2-hydroxybenzylidene]amino}-1H-isoindole-1,3(2H)-dione
CID 135505352
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]acetamide
CID 145978256
N'-[4-(diethylamino)-2-hydroxybenzylidene]benzohydrazide
CID 135472455
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
CID 135971384
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-fluorobenzohydrazide
CID 135470893
US10196346, Example 33
CID 135896354

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (CID 135647011) is N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is CCN(CC)c1ccc(/C=N\NC(=O)C2C(=O)NCC2c2ccccc2)c(O)c1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is LNPSZOXTRFCZMQ-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-26(4-2)17-11-10-16(19(27)12-17)13-24-25-22(29)20-18(14-23-21(20)28)15-8-6-5-7-9-15/h5-13,18,20,27H,3-4,14H2,1-2H3,(H,23,28)(H,25,29)/b24-13-.
What are the key properties of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 135647011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).