N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide

C27H37N5O5 — CID 89413303

IUPACN-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(NCCCCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H37N5O5/c1-28-25(33)24(26(34)30-36)31(2)27(35)22-8-6-20(7-9-22)21-10-12-23(13-11-21)29-14-4-3-5-15-32-16-18-37-19-17-32/h6-13,24,29,36H,3-5,14-19H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyAHGBPPGABCCFEY-UHFFFAOYSA-N
MW511.62 g/mol
LogP1.96
Rot. Bonds12

About N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide

N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide (PubChem CID 89413303) has the molecular formula C27H37N5O5 and a molecular weight of 511.62 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide
PubChem CID89413303
Molecular FormulaC27H37N5O5
Molecular Weight511.62 g/mol
Exact Mass511.28
IUPAC NameN-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(NCCCCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H37N5O5/c1-28-25(33)24(26(34)30-36)31(2)27(35)22-8-6-20(7-9-22)21-10-12-23(13-11-21)29-14-4-3-5-15-32-16-18-37-19-17-32/h6-13,24,29,36H,3-5,14-19H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyAHGBPPGABCCFEY-UHFFFAOYSA-N
XLogP1.96
TPSA123.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
CID 89448015
N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide
CID 89413350
N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide
CID 89413248
N-hydroxy-2-[[4-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-[2-[4-(2-morpholin-4-ylethyl)phenyl]ethynyl]benzamide
CID 152843376
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]-4-[4-(3-methoxypropylamino)phenyl]-N-methylbenzamide
CID 147485406
N-hydroxy-2-[[4-(3-hydroxyphenyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413211
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-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide?
The IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide (CID 89413303) is N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide.
What is the SMILES notation for N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide?
The canonical SMILES for N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(NCCCCCN3CCOCC3)cc2)cc1.
What is the InChIKey of N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide?
The InChIKey is AHGBPPGABCCFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O5/c1-28-25(33)24(26(34)30-36)31(2)27(35)22-8-6-20(7-9-22)21-10-12-23(13-11-21)29-14-4-3-5-15-32-16-18-37-19-17-32/h6-13,24,29,36H,3-5,14-19H2,1-2H3,(H,28,33)(H,30,34).
What are the key properties of N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide?
N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide has a molecular weight of 511.62 g/mol, XLogP of 1.96, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-methyl-2-[methyl-[4-[4-(5-morpholin-4-ylpentylamino)phenyl]benzoyl]amino]propanediamide is sourced from PubChem (CID 89413303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).