N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide

C15H31N3O2 — CID 77069052

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C)CC(N)=NO
InChIInChI=1S/C15H31N3O2/c1-3-4-5-6-7-8-9-10-11-12-15(19)18(2)13-14(16)17-20/h20H,3-13H2,1-2H3,(H2,16,17)
InChIKeyVCUGVZIUWRIWAB-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.11
Rot. Bonds12

About N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide

N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide (PubChem CID 77069052) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
PubChem CID77069052
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C)CC(N)=NO
InChIInChI=1S/C15H31N3O2/c1-3-4-5-6-7-8-9-10-11-12-15(19)18(2)13-14(16)17-20/h20H,3-13H2,1-2H3,(H2,16,17)
InChIKeyVCUGVZIUWRIWAB-UHFFFAOYSA-N
XLogP3.11
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxyiminopropyl)-N-methylnonanamide
CID 77069088
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnonanamide
CID 77069069
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
CID 77044667
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
CID 54992414
calcium bis(2-[methyl(tetradecanoyl)amino]acetate)
CID 168911681
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide
CID 87387008
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide (CID 77069052) is N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide is CCCCCCCCCCCC(=O)N(C)CC(N)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide?
The InChIKey is VCUGVZIUWRIWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-3-4-5-6-7-8-9-10-11-12-15(19)18(2)13-14(16)17-20/h20H,3-13H2,1-2H3,(H2,16,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide?
N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide has a molecular weight of 285.43 g/mol, XLogP of 3.11, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide is sourced from PubChem (CID 77069052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).