N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide

C10H19N3O4 — CID 20680994

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide
SMILESCC(CC(=O)NO)C(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C10H19N3O4/c1-6(5-8(14)12-17)9(15)11-7(2)10(16)13(3)4/h6-7,17H,5H2,1-4H3,(H,11,15)(H,12,14)
InChIKeyKHRZUPPKNWJZDI-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.89
Rot. Bonds5

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide (PubChem CID 20680994) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide
PubChem CID20680994
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide
SMILESCC(CC(=O)NO)C(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C10H19N3O4/c1-6(5-8(14)12-17)9(15)11-7(2)10(16)13(3)4/h6-7,17H,5H2,1-4H3,(H,11,15)(H,12,14)
InChIKeyKHRZUPPKNWJZDI-UHFFFAOYSA-N
XLogP-0.89
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]propanoic acid
CID 54252173
N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide
CID 20681358
2-(2-chloropropanoylamino)-N,N-dimethylpropanamide
CID 43578901
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 43578902
(2R)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-methylbutanediamide
CID 135172784
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(ethylamino)butanamide
CID 62838445
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
4-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid;molecular iodine
CID 159697138
(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide
CID 95340452
(2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide
CID 97027657

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide (CID 20680994) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide is CC(CC(=O)NO)C(=O)NC(C)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide?
The InChIKey is KHRZUPPKNWJZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-6(5-8(14)12-17)9(15)11-7(2)10(16)13(3)4/h6-7,17H,5H2,1-4H3,(H,11,15)(H,12,14).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide has a molecular weight of 245.28 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide is sourced from PubChem (CID 20680994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).