N-(4-azidobutyl)-2-(oxan-2-yl)acetamide

C11H20N4O2 — CID 106386601

IUPACN-(4-azidobutyl)-2-(oxan-2-yl)acetamide
SMILES[N-]=[N+]=NCCCCNC(=O)CC1CCCCO1
InChIInChI=1S/C11H20N4O2/c12-15-14-7-3-2-6-13-11(16)9-10-5-1-4-8-17-10/h10H,1-9H2,(H,13,16)
InChIKeyVBKNFJKTJYETKK-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.15
Rot. Bonds7

About N-(4-azidobutyl)-2-(oxan-2-yl)acetamide

N-(4-azidobutyl)-2-(oxan-2-yl)acetamide (PubChem CID 106386601) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(4-azidobutyl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-2-(oxan-2-yl)acetamide
PubChem CID106386601
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(4-azidobutyl)-2-(oxan-2-yl)acetamide
SMILES[N-]=[N+]=NCCCCNC(=O)CC1CCCCO1
InChIInChI=1S/C11H20N4O2/c12-15-14-7-3-2-6-13-11(16)9-10-5-1-4-8-17-10/h10H,1-9H2,(H,13,16)
InChIKeyVBKNFJKTJYETKK-UHFFFAOYSA-N
XLogP2.15
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.15
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)-3-(oxolan-2-yl)propanamide
CID 106386302
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
N-(4-azidobutyl)-2-(thian-4-yl)acetamide
CID 106386643
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 98128026
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide
CID 110628016
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(4-azidobutyl)-2-(oxan-2-yl)acetamide (CID 106386601) is N-(4-azidobutyl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(4-azidobutyl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(4-azidobutyl)-2-(oxan-2-yl)acetamide is [N-]=[N+]=NCCCCNC(=O)CC1CCCCO1.
What is the InChIKey of N-(4-azidobutyl)-2-(oxan-2-yl)acetamide?
The InChIKey is VBKNFJKTJYETKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-15-14-7-3-2-6-13-11(16)9-10-5-1-4-8-17-10/h10H,1-9H2,(H,13,16).
What are the key properties of N-(4-azidobutyl)-2-(oxan-2-yl)acetamide?
N-(4-azidobutyl)-2-(oxan-2-yl)acetamide has a molecular weight of 240.31 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 106386601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).