N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide

C23H28N4O5 — CID 89448015

IUPACN-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C23H28N4O5/c1-24-21(28)20(22(29)25-31)26(2)23(30)18-8-6-17(7-9-18)19-5-3-4-16(14-19)15-27-10-12-32-13-11-27/h3-9,14,20,31H,10-13,15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyIAJFRMJPNWKKCO-UHFFFAOYSA-N
MW440.50 g/mol
LogP0.88
Rot. Bonds7

About N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide

N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide (PubChem CID 89448015) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
PubChem CID89448015
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC NameN-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C23H28N4O5/c1-24-21(28)20(22(29)25-31)26(2)23(30)18-8-6-17(7-9-18)19-5-3-4-16(14-19)15-27-10-12-32-13-11-27/h3-9,14,20,31H,10-13,15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyIAJFRMJPNWKKCO-UHFFFAOYSA-N
XLogP0.88
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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'-methyl-2-[methyl-[4-[4-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
CID 89413528
N-hydroxy-2-[[4-(3-hydroxyphenyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413211
N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide
CID 89413303
N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide
CID 89413350
N-hydroxy-2-[[4-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413676
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-[2-[4-(2-morpholin-4-ylethyl)phenyl]ethynyl]benzamide
CID 152843376
N-hydroxy-2-[[4-[4-(3-hydroxyprop-1-ynyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413245
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide
CID 89413642
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide
CID 89413611
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide?
The IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide (CID 89448015) is N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide.
What is the SMILES notation for N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide?
The canonical SMILES for N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1.
What is the InChIKey of N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide?
The InChIKey is IAJFRMJPNWKKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-24-21(28)20(22(29)25-31)26(2)23(30)18-8-6-17(7-9-18)19-5-3-4-16(14-19)15-27-10-12-32-13-11-27/h3-9,14,20,31H,10-13,15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide?
N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide has a molecular weight of 440.50 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide is sourced from PubChem (CID 89448015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).