N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide

C20H24N4O5 — CID 89413299

IUPACN-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide
SMILESCCCOc1ccc(-c2ccc(C(=O)N(C)C(C(=O)NC)C(=O)NO)cc2)cn1
InChIInChI=1S/C20H24N4O5/c1-4-11-29-16-10-9-15(12-22-16)13-5-7-14(8-6-13)20(27)24(3)17(18(25)21-2)19(26)23-28/h5-10,12,17,28H,4,11H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyAWJDDFDZPRPXJT-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.23
Rot. Bonds8

About N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide

N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide (PubChem CID 89413299) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide
PubChem CID89413299
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC NameN-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide
SMILESCCCOc1ccc(-c2ccc(C(=O)N(C)C(C(=O)NC)C(=O)NO)cc2)cn1
InChIInChI=1S/C20H24N4O5/c1-4-11-29-16-10-9-15(12-22-16)13-5-7-14(8-6-13)20(27)24(3)17(18(25)21-2)19(26)23-28/h5-10,12,17,28H,4,11H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyAWJDDFDZPRPXJT-UHFFFAOYSA-N
XLogP1.23
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.23
H-Bond Donors ≤ 53
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-hydroxy-2-[[4-(6-methoxy-3-pyridinyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 89412972
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propoxyphenyl)benzoyl]amino]propanediamide
CID 89413642
N-hydroxy-N'-methyl-2-[methyl-[4-(4-propylphenyl)benzoyl]amino]propanediamide
CID 89413598
2-[[4-[4-(ethoxymethyl)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413355
N-hydroxy-2-[[4-[4-(hydroxymethyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89448035
N-hydroxy-2-[[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89447883
N-hydroxy-2-[[4-[2-(6-methoxy-3-pyridinyl)ethynyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413478
N-hydroxy-2-[[4-[4-(2-hydroxy-2-methylpropoxy)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413373
2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511
N-hydroxy-2-[[4-[4-(3-hydroxyprop-1-ynyl)phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89413245
N-hydroxy-2-[methyl-(4-phenylbenzoyl)amino]-N'-propylpropanediamide
CID 89413611
N-hydroxy-N'-methyl-2-[methyl-(6-phenylpyridine-3-carbonyl)amino]propanediamide
CID 89413587

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide?
The IUPAC name of N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide (CID 89413299) is N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide.
What is the SMILES notation for N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide?
The canonical SMILES for N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide is CCCOc1ccc(-c2ccc(C(=O)N(C)C(C(=O)NC)C(=O)NO)cc2)cn1.
What is the InChIKey of N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide?
The InChIKey is AWJDDFDZPRPXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-4-11-29-16-10-9-15(12-22-16)13-5-7-14(8-6-13)20(27)24(3)17(18(25)21-2)19(26)23-28/h5-10,12,17,28H,4,11H2,1-3H3,(H,21,25)(H,23,26).
What are the key properties of N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide?
N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide has a molecular weight of 400.44 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide is sourced from PubChem (CID 89413299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).