N-(4-azidobutyl)heptanamide

C11H22N4O — CID 106386394

IUPACN-(4-azidobutyl)heptanamide
SMILESCCCCCCC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C11H22N4O/c1-2-3-4-5-8-11(16)13-9-6-7-10-14-15-12/h2-10H2,1H3,(H,13,16)
InChIKeyPVPXXZQGNGERBF-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.16
Rot. Bonds10

About N-(4-azidobutyl)heptanamide

N-(4-azidobutyl)heptanamide (PubChem CID 106386394) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(4-azidobutyl)heptanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)heptanamide
PubChem CID106386394
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-(4-azidobutyl)heptanamide
SMILESCCCCCCC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C11H22N4O/c1-2-3-4-5-8-11(16)13-9-6-7-10-14-15-12/h2-10H2,1H3,(H,13,16)
InChIKeyPVPXXZQGNGERBF-UHFFFAOYSA-N
XLogP3.16
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-azidobutyl)hexanamide
CID 106386708
(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide
CID 53251543
2-azido-N-octylacetamide
CID 91620085
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-nonyltridecanamide
CID 154228217
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)heptanamide?
The IUPAC name of N-(4-azidobutyl)heptanamide (CID 106386394) is N-(4-azidobutyl)heptanamide.
What is the SMILES notation for N-(4-azidobutyl)heptanamide?
The canonical SMILES for N-(4-azidobutyl)heptanamide is CCCCCCC(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)heptanamide?
The InChIKey is PVPXXZQGNGERBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-2-3-4-5-8-11(16)13-9-6-7-10-14-15-12/h2-10H2,1H3,(H,13,16).
What are the key properties of N-(4-azidobutyl)heptanamide?
N-(4-azidobutyl)heptanamide has a molecular weight of 226.32 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)heptanamide is sourced from PubChem (CID 106386394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).