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

C16H19N3O5 — CID 130207864

IUPACN-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide
SMILESCNC(=O)C(C)(NC(=O)c1ccc(C#CCCO)cc1)C(=O)NO
InChIInChI=1S/C16H19N3O5/c1-16(14(22)17-2,15(23)19-24)18-13(21)12-8-6-11(7-9-12)5-3-4-10-20/h6-9,20,24H,4,10H2,1-2H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyOTEDWRLDSLYXDR-UHFFFAOYSA-N
MW333.34 g/mol
LogP-0.84
Rot. Bonds5

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

N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide (PubChem CID 130207864) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide
PubChem CID130207864
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide
SMILESCNC(=O)C(C)(NC(=O)c1ccc(C#CCCO)cc1)C(=O)NO
InChIInChI=1S/C16H19N3O5/c1-16(14(22)17-2,15(23)19-24)18-13(21)12-8-6-11(7-9-12)5-3-4-10-20/h6-9,20,24H,4,10H2,1-2H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyOTEDWRLDSLYXDR-UHFFFAOYSA-N
XLogP-0.84
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 5-0.84
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'}

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Related Compounds

N-hydroxy-2-[[4-(4-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide
CID 130207684
N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]-methylamino]-N',2-dimethylpropanediamide
CID 130207812
4-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54922298
N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815623
ethyl 2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]acetate
CID 60816874
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803690
4-(4-hydroxybut-1-ynyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 63228058
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
4-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295342
4-(3-aminoprop-1-ynyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106279826
4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389040

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide?
The IUPAC name of N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide (CID 130207864) is N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide.
What is the SMILES notation for N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide?
The canonical SMILES for N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide is CNC(=O)C(C)(NC(=O)c1ccc(C#CCCO)cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide?
The InChIKey is OTEDWRLDSLYXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-16(14(22)17-2,15(23)19-24)18-13(21)12-8-6-11(7-9-12)5-3-4-10-20/h6-9,20,24H,4,10H2,1-2H3,(H,17,22)(H,18,21)(H,19,23).
What are the key properties of N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide?
N-hydroxy-2-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide has a molecular weight of 333.34 g/mol, XLogP of -0.84, 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-hydroxybut-1-ynyl)benzoyl]amino]-N',2-dimethylpropanediamide is sourced from PubChem (CID 130207864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).