(4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide

C22H24Cl2N4O2 — CID 134925197

IUPAC(4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide
SMILESC=N/N=C(\CC(C(=O)Nc1ccc(C)cc1)N1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H24Cl2N4O2/c1-15-3-6-17(7-4-15)26-22(29)21(28-9-11-30-12-10-28)14-20(27-25-2)16-5-8-18(23)19(24)13-16/h3-8,13,21H,2,9-12,14H2,1H3,(H,26,29)/b27-20+
InChIKeyISMUFTFBFJBAIC-NHFJDJAPSA-N
MW447.37 g/mol
LogP4.44
Rot. Bonds7

About (4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide

(4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide (PubChem CID 134925197) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is (4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name(4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide
PubChem CID134925197
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name(4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide
SMILESC=N/N=C(\CC(C(=O)Nc1ccc(C)cc1)N1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H24Cl2N4O2/c1-15-3-6-17(7-4-15)26-22(29)21(28-9-11-30-12-10-28)14-20(27-25-2)16-5-8-18(23)19(24)13-16/h3-8,13,21H,2,9-12,14H2,1H3,(H,26,29)/b27-20+
InChIKeyISMUFTFBFJBAIC-NHFJDJAPSA-N
XLogP4.44
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-morpholin-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 5000095
2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55793069
4-(4-chloroanilino)-4-oxo-3-piperidin-1-ylbutanoic acid
CID 2957775
(3S)-3-(azepan-1-yl)-4-(4-chloroanilino)-4-oxobutanoic acid
CID 7247950
(3S)-3-[(4-methylphenyl)sulfonylamino]-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 160716542
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine
CID 164862221
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 16555054
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17279131
2-amino-2-(4-methylphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 120667122
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
(2R)-2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 100523475

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide?
The IUPAC name of (4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide (CID 134925197) is (4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide.
What is the SMILES notation for (4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide?
The canonical SMILES for (4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide is C=N/N=C(\CC(C(=O)Nc1ccc(C)cc1)N1CCOCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide?
The InChIKey is ISMUFTFBFJBAIC-NHFJDJAPSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c1-15-3-6-17(7-4-15)26-22(29)21(28-9-11-30-12-10-28)14-20(27-25-2)16-5-8-18(23)19(24)13-16/h3-8,13,21H,2,9-12,14H2,1H3,(H,26,29)/b27-20+.
What are the key properties of (4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide?
(4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide has a molecular weight of 447.37 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(3,4-dichlorophenyl)-4-(methylidenehydrazinylidene)-N-(4-methylphenyl)-2-morpholin-4-ylbutanamide is sourced from PubChem (CID 134925197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).