N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide

C16H33N3O2 — CID 77069082

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)CC(N)=NO
InChIInChI=1S/C16H33N3O2/c1-3-4-5-6-7-8-9-10-11-12-16(20)18-14(2)13-15(17)19-21/h14,21H,3-13H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyZDGRKRZYHBIZKV-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.55
Rot. Bonds13

About N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide

N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide (PubChem CID 77069082) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide
PubChem CID77069082
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)CC(N)=NO
InChIInChI=1S/C16H33N3O2/c1-3-4-5-6-7-8-9-10-11-12-16(20)18-14(2)13-15(17)19-21/h14,21H,3-13H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyZDGRKRZYHBIZKV-UHFFFAOYSA-N
XLogP3.55
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.55
H-Bond Donors ≤ 53
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-(1-amino-1-hydroxyiminopentan-3-yl)decanamide
CID 77069122
N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
CID 76934536
3-(heptanoylamino)butanoic acid
CID 43360958
N-pentan-2-ylundecanamide
CID 173258559
N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide
CID 77069097
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide (CID 77069082) is N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide is CCCCCCCCCCCC(=O)NC(C)CC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide?
The InChIKey is ZDGRKRZYHBIZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-3-4-5-6-7-8-9-10-11-12-16(20)18-14(2)13-15(17)19-21/h14,21H,3-13H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide has a molecular weight of 299.46 g/mol, XLogP of 3.55, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide is sourced from PubChem (CID 77069082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).