N,N-dihydroxy-2-methylhexanamide

C7H15NO3 — CID 90954167

IUPACN,N-dihydroxy-2-methylhexanamide
SMILESCCCCC(C)C(=O)N(O)O
InChIInChI=1S/C7H15NO3/c1-3-4-5-6(2)7(9)8(10)11/h6,10-11H,3-5H2,1-2H3
InChIKeyDGKIXRKODPXIKW-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.42
Rot. Bonds4

About N,N-dihydroxy-2-methylhexanamide

N,N-dihydroxy-2-methylhexanamide (PubChem CID 90954167) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is N,N-dihydroxy-2-methylhexanamide.

Molecular Properties

Compound NameN,N-dihydroxy-2-methylhexanamide
PubChem CID90954167
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC NameN,N-dihydroxy-2-methylhexanamide
SMILESCCCCC(C)C(=O)N(O)O
InChIInChI=1S/C7H15NO3/c1-3-4-5-6(2)7(9)8(10)11/h6,10-11H,3-5H2,1-2H3
InChIKeyDGKIXRKODPXIKW-UHFFFAOYSA-N
XLogP1.42
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methylhexanamide
CID 2828737
(2R)-2-methylhexanoate
CID 6999857
ethyl 2-methylhexanoate
CID 12714009
calcium;hydride;2-methylhexanoic acid
CID 173227921
bis(2-methylhexanethioate);nickel(2+)
CID 21499168
copper bis(2-methylhexanoate)
CID 19768945
propanoyl 2-methylhexanoate
CID 123237925
N,N-dibutyl-2-methylpentanamide
CID 2904869
2-methylheptanamide;2-methylhexanamide
CID 160718848
(3R)-3-methyloctan-2-one
CID 158725350
2-methyl-N-propan-2-ylhexanamide
CID 19752015
propyl 2-methylhexanoate
CID 15464658

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-2-methylhexanamide?
The IUPAC name of N,N-dihydroxy-2-methylhexanamide (CID 90954167) is N,N-dihydroxy-2-methylhexanamide.
What is the SMILES notation for N,N-dihydroxy-2-methylhexanamide?
The canonical SMILES for N,N-dihydroxy-2-methylhexanamide is CCCCC(C)C(=O)N(O)O.
What is the InChIKey of N,N-dihydroxy-2-methylhexanamide?
The InChIKey is DGKIXRKODPXIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-4-5-6(2)7(9)8(10)11/h6,10-11H,3-5H2,1-2H3.
What are the key properties of N,N-dihydroxy-2-methylhexanamide?
N,N-dihydroxy-2-methylhexanamide has a molecular weight of 161.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-2-methylhexanamide is sourced from PubChem (CID 90954167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).