N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide

C24H33N5O3 — CID 168753026

IUPACN-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide
SMILESCN1CCN(CC(=O)N(O)Cc2ccc(Nc3ccc(N4CCOCC4)cc3)cc2)CC1
InChIInChI=1S/C24H33N5O3/c1-26-10-12-27(13-11-26)19-24(30)29(31)18-20-2-4-21(5-3-20)25-22-6-8-23(9-7-22)28-14-16-32-17-15-28/h2-9,25,31H,10-19H2,1H3
InChIKeyYLRSJARAGBPKRJ-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.23
Rot. Bonds7

About N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide

N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide (PubChem CID 168753026) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide
PubChem CID168753026
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide
SMILESCN1CCN(CC(=O)N(O)Cc2ccc(Nc3ccc(N4CCOCC4)cc3)cc2)CC1
InChIInChI=1S/C24H33N5O3/c1-26-10-12-27(13-11-26)19-24(30)29(31)18-20-2-4-21(5-3-20)25-22-6-8-23(9-7-22)28-14-16-32-17-15-28/h2-9,25,31H,10-19H2,1H3
InChIKeyYLRSJARAGBPKRJ-UHFFFAOYSA-N
XLogP2.23
TPSA71.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 168752869
N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-[4-(trifluoromethyl)anilino]phenyl]methyl]acetamide
CID 166062503
N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide
CID 168752934
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
1-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-morpholin-4-ylphenyl)hydrazine
CID 123306233
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100523110
4-morpholin-4-yl-N-phenylaniline
CID 159018746
4-[methyl-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]amino]butan-2-one
CID 167537986
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 38949614

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide?
The IUPAC name of N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide (CID 168753026) is N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide.
What is the SMILES notation for N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide?
The canonical SMILES for N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide is CN1CCN(CC(=O)N(O)Cc2ccc(Nc3ccc(N4CCOCC4)cc3)cc2)CC1.
What is the InChIKey of N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide?
The InChIKey is YLRSJARAGBPKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-26-10-12-27(13-11-26)19-24(30)29(31)18-20-2-4-21(5-3-20)25-22-6-8-23(9-7-22)28-14-16-32-17-15-28/h2-9,25,31H,10-19H2,1H3.
What are the key properties of N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide?
N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide is sourced from PubChem (CID 168753026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).