N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide

C11H23N3O2 — CID 104982329

IUPACN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-8(2)6-9(15)13-7-11(3,4)10(12)14-16/h8,16H,5-7H2,1-4H3,(H2,12,14)(H,13,15)
InChIKeyJZLQOACZCDNLCW-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.31
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide

N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide (PubChem CID 104982329) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
PubChem CID104982329
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-8(2)6-9(15)13-7-11(3,4)10(12)14-16/h8,16H,5-7H2,1-4H3,(H2,12,14)(H,13,15)
InChIKeyJZLQOACZCDNLCW-UHFFFAOYSA-N
XLogP1.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide
CID 104873798
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide
CID 104873806
N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
CID 114875415
5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106275549
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylpentanamide
CID 103525819
N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide
CID 106254168
N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide
CID 104982318
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide
CID 114874782
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide (CID 104982329) is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide is CCC(C)CC(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide?
The InChIKey is JZLQOACZCDNLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-8(2)6-9(15)13-7-11(3,4)10(12)14-16/h8,16H,5-7H2,1-4H3,(H2,12,14)(H,13,15).
What are the key properties of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide?
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide is sourced from PubChem (CID 104982329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).