N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide

C13H27N3O2 — CID 77069097

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)decanamide
SMILESCCCCCCCCCC(=O)NC(C)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-3-4-5-6-7-8-9-10-12(17)15-11(2)13(14)16-18/h11,18H,3-10H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyGEXZXTVNBDNBMP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.38
Rot. Bonds10

About N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide

N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide (PubChem CID 77069097) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)decanamide
PubChem CID77069097
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)decanamide
SMILESCCCCCCCCCC(=O)NC(C)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-3-4-5-6-7-8-9-10-12(17)15-11(2)13(14)16-18/h11,18H,3-10H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyGEXZXTVNBDNBMP-UHFFFAOYSA-N
XLogP2.38
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.38
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-sulfanylidenepropan-2-yl)heptanamide
CID 114752749
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719
N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide
CID 77069082
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
methyl (2S)-2-(7-oxododecanoylamino)propanoate
CID 54049046
2-(dodecanoylamino)propanoyl chloride
CID 146268547
2-(hexanoylamino)propanoic acid
CID 2828500
propan-2-yl 2-(dodecanoylamino)propanoate
CID 18625142
sodium (2S)-2-(heptadecanoylamino)propanoate
CID 141395192
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)dodecanamide
CID 65448032
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
CID 65450288

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide (CID 77069097) is N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide is CCCCCCCCCC(=O)NC(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide?
The InChIKey is GEXZXTVNBDNBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-4-5-6-7-8-9-10-12(17)15-11(2)13(14)16-18/h11,18H,3-10H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide has a molecular weight of 257.38 g/mol, XLogP of 2.38, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide is sourced from PubChem (CID 77069097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).