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

C25H32N4O5 — CID 89448145

IUPAC(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide
SMILESCNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(CN3CCOC(C)C3)cc2)cc1
InChIInChI=1S/C25H32N4O5/c1-17-15-29(13-14-34-17)16-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22(30)28(4)25(2,23(31)26-3)24(32)27-33/h5-12,17,33H,13-16H2,1-4H3,(H,26,31)(H,27,32)/t17?,25-/m0/s1
InChIKeyJLDOWGQDXSOHIA-HHPDBAQJSA-N
MW468.55 g/mol
LogP1.66
Rot. Bonds7

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

(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide (PubChem CID 89448145) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide
PubChem CID89448145
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide
SMILESCNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(CN3CCOC(C)C3)cc2)cc1
InChIInChI=1S/C25H32N4O5/c1-17-15-29(13-14-34-17)16-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22(30)28(4)25(2,23(31)26-3)24(32)27-33/h5-12,17,33H,13-16H2,1-4H3,(H,26,31)(H,27,32)/t17?,25-/m0/s1
InChIKeyJLDOWGQDXSOHIA-HHPDBAQJSA-N
XLogP1.66
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 51.66
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

(2S)-2-[[4-[2-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N',2-dimethylpropanediamide
CID 89413203
N-hydroxy-2-[[4-[2-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]ethynyl]benzoyl]-methylamino]-N',2-dimethylpropanediamide
CID 78127539
(2S)-2-[[4-[4-[[3-(2-fluoroethoxy)azetidin-1-yl]methyl]phenyl]benzoyl]-methylamino]-N,2-dimethyl-N'-(oxan-2-yloxy)propanediamide
CID 89448033
(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-(1-methyl-2,3-dihydroindol-5-yl)benzoyl]amino]propanediamide
CID 89413306
N-methyl-N-[(2R)-2-methyl-1-(methylamino)-4-(oxan-2-yloxy)-1,3-dioxobutan-2-yl]-4-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzamide
CID 157108739
N,N-dimethyl-4-[[[N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111874701
(2S)-N-hydroxy-2-[[4-[2-[4-[2-(3-methoxyazetidin-1-yl)ethyl]phenyl]ethynyl]benzoyl]-methylamino]-N',2-dimethylpropanediamide
CID 89413123
N,2-dimethyl-2-[methyl-[4-[2-[4-(1,4-oxazepan-4-ylmethyl)phenyl]ethynyl]benzoyl]amino]-N'-(oxan-2-yloxy)propanediamide
CID 89413278
N-hydroxy-N'-methyl-2-[methyl-[4-[4-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
CID 89413528
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
N-hydroxy-N',2-dimethyl-2-[methyl-[4-[2-[4-[(oxan-4-ylamino)methyl]phenyl]ethynyl]benzoyl]amino]propanediamide
CID 138673247

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide?
The IUPAC name of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide (CID 89448145) is (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide.
What is the SMILES notation for (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide?
The canonical SMILES for (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide is CNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(CN3CCOC(C)C3)cc2)cc1.
What is the InChIKey of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide?
The InChIKey is JLDOWGQDXSOHIA-HHPDBAQJSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-17-15-29(13-14-34-17)16-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22(30)28(4)25(2,23(31)26-3)24(32)27-33/h5-12,17,33H,13-16H2,1-4H3,(H,26,31)(H,27,32)/t17?,25-/m0/s1.
What are the key properties of (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide?
(2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide has a molecular weight of 468.55 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-N',2-dimethyl-2-[methyl-[4-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]benzoyl]amino]propanediamide is sourced from PubChem (CID 89448145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).