N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide

C12H23N5O2 — CID 153280143

IUPACN-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCCCNC(=O)CN=[N+]=[N-]
InChIInChI=1S/C12H23N5O2/c1-3-10(2)12(19)15-8-6-4-5-7-14-11(18)9-16-17-13/h10H,3-9H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyOQVAPMLQICDJEW-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.75
Rot. Bonds10

About N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide

N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide (PubChem CID 153280143) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
PubChem CID153280143
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC NameN-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCCCNC(=O)CN=[N+]=[N-]
InChIInChI=1S/C12H23N5O2/c1-3-10(2)12(19)15-8-6-4-5-7-14-11(18)9-16-17-13/h10H,3-9H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyOQVAPMLQICDJEW-UHFFFAOYSA-N
XLogP1.75
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
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

2-azido-N-octylacetamide
CID 91620085
N-(2-azidoethyl)-2-methylbutanamide
CID 61343601
N-(4-azidobutyl)-2-methylpentanamide
CID 106386395
N-(4-aminobutyl)-2-azidoacetamide
CID 137350213
N-[5-[(2-azidoacetyl)amino]pentyl]-2-dodecylsulfanylcarbothioylsulfanylbutanamide
CID 166038658
2-azido-N-[5-(prop-2-enylamino)pentyl]acetamide
CID 167167902
methyl (2S)-2-amino-6-[(2-azidoacetyl)amino]hexanoate
CID 118655343
N-(4-azidobutyl)-3-methylbutanamide
CID 106386682
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
N-(2-acetamidoethyl)-2-azidoacetamide
CID 61374382
N-(6-chlorohexyl)-2-methylbutanamide
CID 107846649
N-(5-chloropentyl)-2-methylbutanamide
CID 107321428

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide?
The IUPAC name of N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide (CID 153280143) is N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide.
What is the SMILES notation for N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide?
The canonical SMILES for N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide is CCC(C)C(=O)NCCCCCNC(=O)CN=[N+]=[N-].
What is the InChIKey of N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide?
The InChIKey is OQVAPMLQICDJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-3-10(2)12(19)15-8-6-4-5-7-14-11(18)9-16-17-13/h10H,3-9H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide?
N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide has a molecular weight of 269.35 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide is sourced from PubChem (CID 153280143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).