N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide

C15H29N3O5 — CID 135281872

IUPACN-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)CC(C)(C)CNC(=O)C(CC(C)C)C(O)C(=O)NO
InChIInChI=1S/C15H29N3O5/c1-9(2)6-10(12(20)14(22)18-23)13(21)17-8-15(3,4)7-11(19)16-5/h9-10,12,20,23H,6-8H2,1-5H3,(H,16,19)(H,17,21)(H,18,22)
InChIKeyXIZILTLSTMBOTM-UHFFFAOYSA-N
MW331.41 g/mol
LogP-0.21
Rot. Bonds9

About N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide

N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide (PubChem CID 135281872) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
PubChem CID135281872
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC NameN-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)CC(C)(C)CNC(=O)C(CC(C)C)C(O)C(=O)NO
InChIInChI=1S/C15H29N3O5/c1-9(2)6-10(12(20)14(22)18-23)13(21)17-8-15(3,4)7-11(19)16-5/h9-10,12,20,23H,6-8H2,1-5H3,(H,16,19)(H,17,21)(H,18,22)
InChIKeyXIZILTLSTMBOTM-UHFFFAOYSA-N
XLogP-0.21
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 55
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'}

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Related Compounds

(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
CID 90478336
2-[[2-[1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 21299462
N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide
CID 54385621
(2R,3S)-N-[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10619360
ethane;methanamine;N,3,3,5-tetramethylhexanamide
CID 177024213
N,N',3,3,6,6-hexamethyloctanediamide
CID 54555561
(2S,3R)-N,2-dihydroxy-N'-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-3-(2-methylpropyl)butanediamide
CID 57016824
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
(2R,3S)-N-[(1S)-2,2-dimethyl-1-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10126693
N,3,3,5,5-pentamethylhexanamide
CID 134573804
ethane;3-hydroxy-N,5-dimethylhexanamide;vanadium
CID 177155626
(2S,3S)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 135681453

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
The IUPAC name of N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide (CID 135281872) is N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
The canonical SMILES for N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide is CNC(=O)CC(C)(C)CNC(=O)C(CC(C)C)C(O)C(=O)NO.
What is the InChIKey of N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
The InChIKey is XIZILTLSTMBOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-9(2)6-10(12(20)14(22)18-23)13(21)17-8-15(3,4)7-11(19)16-5/h9-10,12,20,23H,6-8H2,1-5H3,(H,16,19)(H,17,21)(H,18,22).
What are the key properties of N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide?
N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide has a molecular weight of 331.41 g/mol, XLogP of -0.21, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-4-(methylamino)-4-oxobutyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 135281872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).