N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide

C10H19N3O5 — CID 20681358

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide
SMILESCC(NC(=O)C(C)C(O)C(=O)NO)C(=O)N(C)C
InChIInChI=1S/C10H19N3O5/c1-5(7(14)9(16)12-18)8(15)11-6(2)10(17)13(3)4/h5-7,14,18H,1-4H3,(H,11,15)(H,12,16)
InChIKeyIUCJOPSWMKJGII-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.92
Rot. Bonds5

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide (PubChem CID 20681358) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide
PubChem CID20681358
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide
SMILESCC(NC(=O)C(C)C(O)C(=O)NO)C(=O)N(C)C
InChIInChI=1S/C10H19N3O5/c1-5(7(14)9(16)12-18)8(15)11-6(2)10(17)13(3)4/h5-7,14,18H,1-4H3,(H,11,15)(H,12,16)
InChIKeyIUCJOPSWMKJGII-UHFFFAOYSA-N
XLogP-1.92
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.92
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'}

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Related Compounds

4-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid;molecular iodine
CID 159697138
2-(2-chloropropanoylamino)-N,N-dimethylpropanamide
CID 43578901
N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide
CID 20680994
2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 43578902
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 13269666
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
(2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide
CID 97027657
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499411
N,N-dimethyl-2-(propan-2-ylamino)propanamide
CID 43085810
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide (CID 20681358) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide is CC(NC(=O)C(C)C(O)C(=O)NO)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide?
The InChIKey is IUCJOPSWMKJGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-5(7(14)9(16)12-18)8(15)11-6(2)10(17)13(3)4/h5-7,14,18H,1-4H3,(H,11,15)(H,12,16).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide has a molecular weight of 261.28 g/mol, XLogP of -1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide is sourced from PubChem (CID 20681358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).