N-(4-azidobutyl)-4-ethoxybutanamide

C10H20N4O2 — CID 106386746

IUPACN-(4-azidobutyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C10H20N4O2/c1-2-16-9-5-6-10(15)12-7-3-4-8-13-14-11/h2-9H2,1H3,(H,12,15)
InChIKeyQZKYUXFUMUGXJB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.01
Rot. Bonds10

About N-(4-azidobutyl)-4-ethoxybutanamide

N-(4-azidobutyl)-4-ethoxybutanamide (PubChem CID 106386746) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(4-azidobutyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-4-ethoxybutanamide
PubChem CID106386746
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-(4-azidobutyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C10H20N4O2/c1-2-16-9-5-6-10(15)12-7-3-4-8-13-14-11/h2-9H2,1H3,(H,12,15)
InChIKeyQZKYUXFUMUGXJB-UHFFFAOYSA-N
XLogP2.01
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N-(4-azidobutyl)heptanamide
CID 106386394
5-(6-azidohexylamino)-5-oxopentanoic acid
CID 58992347
N-(3-aminopropyl)-6-azidohexanamide
CID 151488540
3-(5-azidopentanoylamino)propyl methanesulfonate
CID 129036756
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
N-[2-(2-azidoethoxy)ethyl]hexadecanamide
CID 141376233
N-(5-azidopentyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 121333074
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-azidohexanamide
CID 171532583
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide
CID 53251543

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-4-ethoxybutanamide?
The IUPAC name of N-(4-azidobutyl)-4-ethoxybutanamide (CID 106386746) is N-(4-azidobutyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(4-azidobutyl)-4-ethoxybutanamide?
The canonical SMILES for N-(4-azidobutyl)-4-ethoxybutanamide is CCOCCCC(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)-4-ethoxybutanamide?
The InChIKey is QZKYUXFUMUGXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-2-16-9-5-6-10(15)12-7-3-4-8-13-14-11/h2-9H2,1H3,(H,12,15).
What are the key properties of N-(4-azidobutyl)-4-ethoxybutanamide?
N-(4-azidobutyl)-4-ethoxybutanamide has a molecular weight of 228.30 g/mol, XLogP of 2.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-4-ethoxybutanamide is sourced from PubChem (CID 106386746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).