N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide

C25H35N5O3 — CID 168752869

IUPACN-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCC1CN(c2ccc(Nc3ccc(CN(O)C(=O)CN4CCN(C)CC4)cc3)cc2)CCO1
InChIInChI=1S/C25H35N5O3/c1-20-17-29(15-16-33-20)24-9-7-23(8-10-24)26-22-5-3-21(4-6-22)18-30(32)25(31)19-28-13-11-27(2)12-14-28/h3-10,20,26,32H,11-19H2,1-2H3
InChIKeyUJEGMOGBLRVPIO-UHFFFAOYSA-N
MW453.59 g/mol
LogP2.62
Rot. Bonds7

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

N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 168752869) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID168752869
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC NameN-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCC1CN(c2ccc(Nc3ccc(CN(O)C(=O)CN4CCN(C)CC4)cc3)cc2)CCO1
InChIInChI=1S/C25H35N5O3/c1-20-17-29(15-16-33-20)24-9-7-23(8-10-24)26-22-5-3-21(4-6-22)18-30(32)25(31)19-28-13-11-27(2)12-14-28/h3-10,20,26,32H,11-19H2,1-2H3
InChIKeyUJEGMOGBLRVPIO-UHFFFAOYSA-N
XLogP2.62
TPSA71.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 168752869) is N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide is CC1CN(c2ccc(Nc3ccc(CN(O)C(=O)CN4CCN(C)CC4)cc3)cc2)CCO1.
What is the InChIKey of N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is UJEGMOGBLRVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-20-17-29(15-16-33-20)24-9-7-23(8-10-24)26-22-5-3-21(4-6-22)18-30(32)25(31)19-28-13-11-27(2)12-14-28/h3-10,20,26,32H,11-19H2,1-2H3.
What are the key properties of N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 453.59 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[[4-[4-(2-methylmorpholin-4-yl)anilino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 168752869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).