N-(4-azidobutyl)-3-phenoxypropanamide

C13H18N4O2 — CID 114182203

IUPACN-(4-azidobutyl)-3-phenoxypropanamide
SMILES[N-]=[N+]=NCCCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C13H18N4O2/c14-17-16-10-5-4-9-15-13(18)8-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,18)
InChIKeyKNUFVPBBNKJVMO-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.66
Rot. Bonds9

About N-(4-azidobutyl)-3-phenoxypropanamide

N-(4-azidobutyl)-3-phenoxypropanamide (PubChem CID 114182203) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(4-azidobutyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-3-phenoxypropanamide
PubChem CID114182203
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(4-azidobutyl)-3-phenoxypropanamide
SMILES[N-]=[N+]=NCCCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C13H18N4O2/c14-17-16-10-5-4-9-15-13(18)8-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,18)
InChIKeyKNUFVPBBNKJVMO-UHFFFAOYSA-N
XLogP2.66
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.66
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)-4-phenylbutanamide
CID 114182194
N-(3-azidopropyl)-3-phenylpropanamide
CID 61344003
N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 58554685
N-(3-cyanopropyl)-3-phenoxypropanamide
CID 62666822
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552
5-(6-azidohexylamino)-5-oxopentanoic acid
CID 58992347
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-3-phenoxypropanamide?
The IUPAC name of N-(4-azidobutyl)-3-phenoxypropanamide (CID 114182203) is N-(4-azidobutyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(4-azidobutyl)-3-phenoxypropanamide?
The canonical SMILES for N-(4-azidobutyl)-3-phenoxypropanamide is [N-]=[N+]=NCCCCNC(=O)CCOc1ccccc1.
What is the InChIKey of N-(4-azidobutyl)-3-phenoxypropanamide?
The InChIKey is KNUFVPBBNKJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-17-16-10-5-4-9-15-13(18)8-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,18).
What are the key properties of N-(4-azidobutyl)-3-phenoxypropanamide?
N-(4-azidobutyl)-3-phenoxypropanamide has a molecular weight of 262.31 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-3-phenoxypropanamide is sourced from PubChem (CID 114182203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).