N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide

C20H23N3O6 — CID 89413216

IUPACN'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide
SMILESCN(C)C(=O)C(NC(=O)c1ccc(-c2ccc(OCCO)cc2)cc1)C(=O)NO
InChIInChI=1S/C20H23N3O6/c1-23(2)20(27)17(19(26)22-28)21-18(25)15-5-3-13(4-6-15)14-7-9-16(10-8-14)29-12-11-24/h3-10,17,24,28H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyNPSKLZIHDFBXSW-UHFFFAOYSA-N
MW401.42 g/mol
LogP0.42
Rot. Bonds8

About N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide

N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide (PubChem CID 89413216) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide
PubChem CID89413216
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC NameN'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide
SMILESCN(C)C(=O)C(NC(=O)c1ccc(-c2ccc(OCCO)cc2)cc1)C(=O)NO
InChIInChI=1S/C20H23N3O6/c1-23(2)20(27)17(19(26)22-28)21-18(25)15-5-3-13(4-6-15)14-7-9-16(10-8-14)29-12-11-24/h3-10,17,24,28H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyNPSKLZIHDFBXSW-UHFFFAOYSA-N
XLogP0.42
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 50.42
H-Bond Donors ≤ 54
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-(2-acetamidoethyl)-N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]propanediamide
CID 89413177
N-hydroxy-2-[[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89447883
4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide
CID 18354763
2-[[4-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]benzoyl]amino]-N'-hydroxypropanediamide
CID 89416354
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide
CID 89413642
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide;methane
CID 159107919
4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750873
4-(4-butoxyphenyl)-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
CID 4274925
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide
CID 89072084
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide?
The IUPAC name of N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide (CID 89413216) is N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide.
What is the SMILES notation for N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide?
The canonical SMILES for N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide is CN(C)C(=O)C(NC(=O)c1ccc(-c2ccc(OCCO)cc2)cc1)C(=O)NO.
What is the InChIKey of N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide?
The InChIKey is NPSKLZIHDFBXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-23(2)20(27)17(19(26)22-28)21-18(25)15-5-3-13(4-6-15)14-7-9-16(10-8-14)29-12-11-24/h3-10,17,24,28H,11-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide?
N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide has a molecular weight of 401.42 g/mol, XLogP of 0.42, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[4-[4-(2-hydroxyethoxy)phenyl]benzoyl]amino]-N,N-dimethylpropanediamide is sourced from PubChem (CID 89413216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).