N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide

C17H21N3O5 — CID 130207684

IUPACN-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide
SMILESCNC(=O)C(C)(NC(=O)c1ccc(C#CC(C)CO)cc1)C(=O)NO
InChIInChI=1S/C17H21N3O5/c1-11(10-21)4-5-12-6-8-13(9-7-12)14(22)19-17(2,15(23)18-3)16(24)20-25/h6-9,11,21,25H,10H2,1-3H3,(H,18,23)(H,19,22)(H,20,24)
InChIKeyZDDVHNAPXXYGIS-UHFFFAOYSA-N
MW347.37 g/mol
LogP-0.59
Rot. Bonds5

About N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide

N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide (PubChem CID 130207684) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide
PubChem CID130207684
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide
SMILESCNC(=O)C(C)(NC(=O)c1ccc(C#CC(C)CO)cc1)C(=O)NO
InChIInChI=1S/C17H21N3O5/c1-11(10-21)4-5-12-6-8-13(9-7-12)14(22)19-17(2,15(23)18-3)16(24)20-25/h6-9,11,21,25H,10H2,1-3H3,(H,18,23)(H,19,22)(H,20,24)
InChIKeyZDDVHNAPXXYGIS-UHFFFAOYSA-N
XLogP-0.59
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 5-0.59
H-Bond Donors ≤ 55
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'}

Analyze N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide
CID 130207864
N-hydroxy-2-[[4-(4-hydroxy-3-methoxybut-1-ynyl)benzoyl]amino]-N'-methylpropanediamide
CID 130207676
N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]-methylamino]-N',2-dimethylpropanediamide
CID 130207812
4-(5,6-dihydroxyhexa-1,3-diynyl)-N-[1-(hydroxyamino)-3-methyl-3-(methylamino)-1-oxobutan-2-yl]benzamide
CID 118161276
N-methyl-4-prop-1-ynylbenzamide
CID 126551972
2-[[4-(5,6-dihydroxyhexa-1,3-diynyl)benzoyl]amino]-N-hydroxy-N'-methylpropanediamide
CID 118659416
(2S)-2-[[4-[2-[4-(1,2-dihydroxyethyl)-3-fluorophenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N',2-dimethylpropanediamide
CID 90436374
4-(3-aminoprop-1-ynyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106279826
4-(5,6-dihydroxyhexa-1,3-diynyl)-N-[3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 118161145
methyl 4-(4-methoxy-3-methylbut-1-ynyl)benzoate
CID 171072326
(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[2-[4-[(2-methylpropylamino)methyl]phenyl]ethynyl]benzoyl]amino]propanediamide
CID 89413561
4-(2-cyclopropylethynyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 53384867

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide?
The IUPAC name of N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide (CID 130207684) is N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide.
What is the SMILES notation for N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide?
The canonical SMILES for N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide is CNC(=O)C(C)(NC(=O)c1ccc(C#CC(C)CO)cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide?
The InChIKey is ZDDVHNAPXXYGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11(10-21)4-5-12-6-8-13(9-7-12)14(22)19-17(2,15(23)18-3)16(24)20-25/h6-9,11,21,25H,10H2,1-3H3,(H,18,23)(H,19,22)(H,20,24).
What are the key properties of N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide?
N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide has a molecular weight of 347.37 g/mol, XLogP of -0.59, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide is sourced from PubChem (CID 130207684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).