N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide

C11H20N4O2 — CID 103166301

IUPACN-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCCCN=[N+]=[N-])C1
InChIInChI=1S/C11H20N4O2/c1-2-17-10-6-9(7-10)8-11(16)13-4-3-5-14-15-12/h9-10H,2-8H2,1H3,(H,13,16)
InChIKeyUWLAHKLLWDNPMG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.01
Rot. Bonds8

About N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide

N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103166301) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103166301
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCCCN=[N+]=[N-])C1
InChIInChI=1S/C11H20N4O2/c1-2-17-10-6-9(7-10)8-11(16)13-4-3-5-14-15-12/h9-10H,2-8H2,1H3,(H,13,16)
InChIKeyUWLAHKLLWDNPMG-UHFFFAOYSA-N
XLogP2.01
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
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-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid
CID 103161944
N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307941
2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide
CID 103270054
N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307815
N-(5-amino-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 106153157
N-(4-azidobutyl)-2-(thian-4-yl)acetamide
CID 106386643
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxylic acid
CID 106822798
1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide
CID 106822803
N-(2-amino-2-hydroxyiminoethyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166100
N-(4-azidobutyl)-4-ethoxybutanamide
CID 106386746

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide (CID 103166301) is N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NCCCN=[N+]=[N-])C1.
What is the InChIKey of N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is UWLAHKLLWDNPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-17-10-6-9(7-10)8-11(16)13-4-3-5-14-15-12/h9-10H,2-8H2,1H3,(H,13,16).
What are the key properties of N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 240.31 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103166301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).