N-hydroxy-N-isocyanatoheptanamide

C8H14N2O3 — CID 87681790

IUPACN-hydroxy-N-isocyanatoheptanamide
SMILESCCCCCCC(=O)N(O)N=C=O
InChIInChI=1S/C8H14N2O3/c1-2-3-4-5-6-8(12)10(13)9-7-11/h13H,2-6H2,1H3
InChIKeyOTZGWYIZVYXSRE-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.43
Rot. Bonds6

About N-hydroxy-N-isocyanatoheptanamide

N-hydroxy-N-isocyanatoheptanamide (PubChem CID 87681790) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-hydroxy-N-isocyanatoheptanamide.

Molecular Properties

Compound NameN-hydroxy-N-isocyanatoheptanamide
PubChem CID87681790
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-hydroxy-N-isocyanatoheptanamide
SMILESCCCCCCC(=O)N(O)N=C=O
InChIInChI=1S/C8H14N2O3/c1-2-3-4-5-6-8(12)10(13)9-7-11/h13H,2-6H2,1H3
InChIKeyOTZGWYIZVYXSRE-UHFFFAOYSA-N
XLogP1.43
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-methyloctadecanamide
CID 19818891
N-chloro-N-hydroxyhentriacontanamide
CID 87683958
N-amino-N-hydroxydocosanamide
CID 87686885
N-bromo-N-hydroxyheptatriacontanamide
CID 87686971
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N-bromo-N-hydroxytetradecanamide
CID 87684693
N-hydroxy-N-iodopentacosanamide
CID 87683036
N-bromo-N-hydroxynonacosanamide
CID 87682957
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-isocyanatoheptanamide?
The IUPAC name of N-hydroxy-N-isocyanatoheptanamide (CID 87681790) is N-hydroxy-N-isocyanatoheptanamide.
What is the SMILES notation for N-hydroxy-N-isocyanatoheptanamide?
The canonical SMILES for N-hydroxy-N-isocyanatoheptanamide is CCCCCCC(=O)N(O)N=C=O.
What is the InChIKey of N-hydroxy-N-isocyanatoheptanamide?
The InChIKey is OTZGWYIZVYXSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-3-4-5-6-8(12)10(13)9-7-11/h13H,2-6H2,1H3.
What are the key properties of N-hydroxy-N-isocyanatoheptanamide?
N-hydroxy-N-isocyanatoheptanamide has a molecular weight of 186.21 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-isocyanatoheptanamide is sourced from PubChem (CID 87681790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).