N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide

C24H32N4O4 — CID 85141621

IUPACN-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide
SMILESCC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccncc1
InChIInChI=1S/C24H32N4O4/c1-24(2,3)21(23(31)26-19-12-14-25-15-13-19)27-22(30)18(16-20(29)28-32)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-15,18,21,32H,7,10-11,16H2,1-3H3,(H,27,30)(H,28,29)(H,25,26,31)
InChIKeyITYFHVLIAPNWSK-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.09
Rot. Bonds10

About N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide

N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide (PubChem CID 85141621) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide
PubChem CID85141621
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide
SMILESCC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccncc1
InChIInChI=1S/C24H32N4O4/c1-24(2,3)21(23(31)26-19-12-14-25-15-13-19)27-22(30)18(16-20(29)28-32)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-15,18,21,32H,7,10-11,16H2,1-3H3,(H,27,30)(H,28,29)(H,25,26,31)
InChIKeyITYFHVLIAPNWSK-UHFFFAOYSA-N
XLogP3.09
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide with MolForge

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Related Compounds

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CID 448042
CR665
CID 25030387
(R)-(+)-trans-4-(1-Aminoethyl)-N-(4-Pyridyl)cyclohexanecarboxamide dihydrochloride monohydrate
CID 9797929
2-phenyl-N-pyridin-4-ylbutanamide
CID 427060
1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 648906
N-{2-methyl-1-[(pyridin-4-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3240382
(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
(R)-N1-((S)-3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl)-N4-hydroxy-2-(3-phenylpropyl)succinamide
CID 10433382
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-(quinolin-2-ylmethylamino)butanediamide
CID 10504595
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-(quinolin-8-ylmethylamino)butanediamide
CID 10695749
(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide
CID 10719476
(2R)-N-[(2R)-1-(benzylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 44310904

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
The IUPAC name of N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide (CID 85141621) is N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide.
What is the SMILES notation for N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
The canonical SMILES for N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide is CC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccncc1.
What is the InChIKey of N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
The InChIKey is ITYFHVLIAPNWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-24(2,3)21(23(31)26-19-12-14-25-15-13-19)27-22(30)18(16-20(29)28-32)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-15,18,21,32H,7,10-11,16H2,1-3H3,(H,27,30)(H,28,29)(H,25,26,31).
What are the key properties of N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide?
N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide has a molecular weight of 440.54 g/mol, XLogP of 3.09, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-N'-hydroxy-2-(3-phenylpropyl)butanediamide is sourced from PubChem (CID 85141621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).