N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide

C11H20N4O2 — CID 65159571

IUPACN-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCN=[N+]=[N-])C1C
InChIInChI=1S/C11H20N4O2/c1-7-8(2)17-9(3)10(7)11(16)13-5-4-6-14-15-12/h7-10H,4-6H2,1-3H3,(H,13,16)
InChIKeyKCYUNSYJRRPLRA-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.86
Rot. Bonds5

About N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65159571) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65159571
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCN=[N+]=[N-])C1C
InChIInChI=1S/C11H20N4O2/c1-7-8(2)17-9(3)10(7)11(16)13-5-4-6-14-15-12/h7-10H,4-6H2,1-3H3,(H,13,16)
InChIKeyKCYUNSYJRRPLRA-UHFFFAOYSA-N
XLogP1.86
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.86
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-amino-2,2-difluoropropyl)-2-ethyloxolane-3-carboxamide
CID 105727676
N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 114383760
N-(3-amino-2,2-difluoropropyl)-5-methyloxolane-3-carboxamide
CID 114826486
2,4,5-trimethyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxolane-3-carboxamide
CID 167888454
4-(2-aminoethyl)-5-methyl-N-[2-(oxolan-2-yl)ethyl]hexanamide
CID 64357709
[4-(3-Amino-2-methylpropyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65151972
N-(2-aminoethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65151974
N-(3-aminopropyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65152016
N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide
CID 65152019
N-(2-aminoethyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65152023
N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
CID 65152026
N-(4-aminobutan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65152028

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65159571) is N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCCCN=[N+]=[N-])C1C.
What is the InChIKey of N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is KCYUNSYJRRPLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7-8(2)17-9(3)10(7)11(16)13-5-4-6-14-15-12/h7-10H,4-6H2,1-3H3,(H,13,16).
What are the key properties of N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65159571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).