(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide

C25H32N4O6 — CID 71598730

IUPAC(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide
SMILESCNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C25H32N4O6/c1-25(23(31)26-2,24(32)27-33)28(3)22(30)20-6-4-18(5-7-20)19-8-10-21(11-9-19)35-17-14-29-12-15-34-16-13-29/h4-11,33H,12-17H2,1-3H3,(H,26,31)(H,27,32)/t25-/m0/s1
InChIKeyLQAWACHJLNKKMG-VWLOTQADSA-N
MW484.55 g/mol
LogP1.15
Rot. Bonds9

About (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide

(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide (PubChem CID 71598730) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide
PubChem CID71598730
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC Name(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide
SMILESCNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C25H32N4O6/c1-25(23(31)26-2,24(32)27-33)28(3)22(30)20-6-4-18(5-7-20)19-8-10-21(11-9-19)35-17-14-29-12-15-34-16-13-29/h4-11,33H,12-17H2,1-3H3,(H,26,31)(H,27,32)/t25-/m0/s1
InChIKeyLQAWACHJLNKKMG-VWLOTQADSA-N
XLogP1.15
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[2-[4-[2-(1,4-oxazepan-4-yl)ethyl]phenyl]ethynyl]benzoyl]amino]propanediamide
CID 89413155
(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide
CID 89448145
(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide
CID 89413306
N,N-dimethyl-4-[3-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 172655306
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-ethoxy-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]butanamide
CID 133246288
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
N-hydroxy-N',2-dimethyl-2-[methyl-[4-[2-[4-[(oxan-4-ylamino)methyl]phenyl]ethynyl]benzoyl]amino]propanediamide
CID 138673247
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
N-hydroxy-N'-methyl-2-[methyl-[4-[4-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]phenyl]benzoyl]amino]propanediamide
CID 89413350
N-hydroxy-2-[[4-[2-[4-[2-(3-methoxyazetidin-1-yl)ethyl]phenyl]ethynyl]benzoyl]-methylamino]-N',2-dimethylpropanediamide
CID 138673228
(2S)-N-hydroxy-2-[[4-[2-[4-[2-(3-methoxyazetidin-1-yl)ethyl]phenyl]ethynyl]benzoyl]-methylamino]-N',2-dimethylpropanediamide
CID 89413123

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide?
The IUPAC name of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide (CID 71598730) is (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide.
What is the SMILES notation for (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide?
The canonical SMILES for (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide is CNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1.
What is the InChIKey of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide?
The InChIKey is LQAWACHJLNKKMG-VWLOTQADSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-25(23(31)26-2,24(32)27-33)28(3)22(30)20-6-4-18(5-7-20)19-8-10-21(11-9-19)35-17-14-29-12-15-34-16-13-29/h4-11,33H,12-17H2,1-3H3,(H,26,31)(H,27,32)/t25-/m0/s1.
What are the key properties of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide?
(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide has a molecular weight of 484.55 g/mol, XLogP of 1.15, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-(2-morpholin-4-ylethoxy)phenyl]benzoyl]amino]propanediamide is sourced from PubChem (CID 71598730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).