N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide

C20H21N3O5 — CID 118659559

IUPACN-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(C#CC#CC2CC(O)C2)cc1
InChIInChI=1S/C20H21N3O5/c1-21-18(25)17(19(26)22-28)23(2)20(27)15-9-7-13(8-10-15)5-3-4-6-14-11-16(24)12-14/h7-10,14,16-17,24,28H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyZUYKKQSAKZQWIU-UHFFFAOYSA-N
MW383.40 g/mol
LogP-0.50
Rot. Bonds4

About N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide

N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide (PubChem CID 118659559) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide
PubChem CID118659559
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(C#CC#CC2CC(O)C2)cc1
InChIInChI=1S/C20H21N3O5/c1-21-18(25)17(19(26)22-28)23(2)20(27)15-9-7-13(8-10-15)5-3-4-6-14-11-16(24)12-14/h7-10,14,16-17,24,28H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyZUYKKQSAKZQWIU-UHFFFAOYSA-N
XLogP-0.50
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2-cyclopropylethynyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413640
N-hydroxy-2-[[4-(3-hydroxyprop-1-ynyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 130207847
N-hydroxy-2-[[4-[4-(3-hydroxyprop-1-ynyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413245
N-hydroxy-2-[[4-[2-[4-(2-hydroxyethyl)phenyl]ethynyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 148787720
2-[[4-[2-[4-[(cyclopentylamino)methyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413183
2-[[4-[2-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413033
N-hydroxy-2-[[4-[2-(6-methoxy-3-pyridinyl)ethynyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413478
N-[1-(hydroxyamino)-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]-4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzamide
CID 118659589
2-[[4-[(3E)-3-[(Z)-2-(cyclopropylamino)ethenyl]hexa-3,5-dien-1-ynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 138715982
N-hydroxy-N'-methyl-2-[methyl-[4-(3-phenylprop-2-ynoxy)benzoyl]amino]propanediamide
CID 89413379
N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide
CID 89413412
2-[[4-[2-[4-[(3-cyclobutyloxyazetidin-1-yl)methyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413088

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide?
The IUPAC name of N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide (CID 118659559) is N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide.
What is the SMILES notation for N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide?
The canonical SMILES for N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(C#CC#CC2CC(O)C2)cc1.
What is the InChIKey of N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide?
The InChIKey is ZUYKKQSAKZQWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-21-18(25)17(19(26)22-28)23(2)20(27)15-9-7-13(8-10-15)5-3-4-6-14-11-16(24)12-14/h7-10,14,16-17,24,28H,11-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide?
N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide has a molecular weight of 383.40 g/mol, XLogP of -0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-[4-(3-hydroxycyclobutyl)buta-1,3-diynyl]benzoyl]-methylamino]-N'-methylpropanediamide is sourced from PubChem (CID 118659559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).