N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide

C22H28N4O3 — CID 40559065

IUPACN'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
SMILESCN(C)c1ccc(/C=N\NC(=O)CC(=O)NC(C)(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C22H28N4O3/c1-22(2,14-16-7-11-19(27)12-8-16)24-20(28)13-21(29)25-23-15-17-5-9-18(10-6-17)26(3)4/h5-12,15,27H,13-14H2,1-4H3,(H,24,28)(H,25,29)/b23-15-
InChIKeyCWWJYJVFSQJQAY-HAHDFKILSA-N
MW396.49 g/mol
LogP2.44
Rot. Bonds8

About N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide

N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide (PubChem CID 40559065) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
PubChem CID40559065
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
SMILESCN(C)c1ccc(/C=N\NC(=O)CC(=O)NC(C)(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C22H28N4O3/c1-22(2,14-16-7-11-19(27)12-8-16)24-20(28)13-21(29)25-23-15-17-5-9-18(10-6-17)26(3)4/h5-12,15,27H,13-14H2,1-4H3,(H,24,28)(H,25,29)/b23-15-
InChIKeyCWWJYJVFSQJQAY-HAHDFKILSA-N
XLogP2.44
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]-N'-[(E)-(4-nitrophenyl)methylideneamino]propanediamide
CID 5348708
N'-[(3-fluorophenyl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
CID 3139426
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245734
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
CID 136769030
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide
CID 94847602
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
2-(4-aminophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136789368
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide?
The IUPAC name of N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide (CID 40559065) is N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide.
What is the SMILES notation for N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide?
The canonical SMILES for N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide is CN(C)c1ccc(/C=N\NC(=O)CC(=O)NC(C)(C)Cc2ccc(O)cc2)cc1.
What is the InChIKey of N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide?
The InChIKey is CWWJYJVFSQJQAY-HAHDFKILSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-22(2,14-16-7-11-19(27)12-8-16)24-20(28)13-21(29)25-23-15-17-5-9-18(10-6-17)26(3)4/h5-12,15,27H,13-14H2,1-4H3,(H,24,28)(H,25,29)/b23-15-.
What are the key properties of N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide?
N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide has a molecular weight of 396.49 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide is sourced from PubChem (CID 40559065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).