N-[2-(4-azidobut-1-enyl)phenyl]acetamide

C12H14N4O — CID 170485725

IUPACN-[2-(4-azidobut-1-enyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C=CCCN=[N+]=[N-]
InChIInChI=1S/C12H14N4O/c1-10(17)15-12-8-3-2-6-11(12)7-4-5-9-14-16-13/h2-4,6-8H,5,9H2,1H3,(H,15,17)
InChIKeyKVCGBCOWLAOYGF-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(4-azidobut-1-enyl)phenyl]acetamide

N-[2-(4-azidobut-1-enyl)phenyl]acetamide (PubChem CID 170485725) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[2-(4-azidobut-1-enyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-azidobut-1-enyl)phenyl]acetamide
PubChem CID170485725
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[2-(4-azidobut-1-enyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C=CCCN=[N+]=[N-]
InChIInChI=1S/C12H14N4O/c1-10(17)15-12-8-3-2-6-11(12)7-4-5-9-14-16-13/h2-4,6-8H,5,9H2,1H3,(H,15,17)
InChIKeyKVCGBCOWLAOYGF-UHFFFAOYSA-N
XLogP3.36
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-[(E)-hex-1-enyl]phenyl]acetamide
CID 10998472
3-[2-(4-azidobut-1-enyl)phenyl]propanoic acid
CID 170485805
N-[4-(4-azidobut-1-enyl)-2-nitrophenyl]acetamide
CID 170486190
1-[3-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485174
1-azido-2-[(E)-4-azidobut-1-enyl]benzene
CID 165349366
N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
1-[4-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485177
3-(4-azidobut-1-enyl)-2-fluorophenol
CID 170484869
ethyl 4-(2-acetamidophenyl)but-3-enoate
CID 170796592
1-[6-(4-azidobut-1-enyl)-2-pyridinyl]ethanone
CID 170485367
[2-amino-5-(4-azidobut-1-enyl)phenyl]-phenylmethanone
CID 170486274
3-(2-acetamidophenyl)prop-2-enoic acid
CID 53423741

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-azidobut-1-enyl)phenyl]acetamide?
The IUPAC name of N-[2-(4-azidobut-1-enyl)phenyl]acetamide (CID 170485725) is N-[2-(4-azidobut-1-enyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-azidobut-1-enyl)phenyl]acetamide?
The canonical SMILES for N-[2-(4-azidobut-1-enyl)phenyl]acetamide is CC(=O)Nc1ccccc1C=CCCN=[N+]=[N-].
What is the InChIKey of N-[2-(4-azidobut-1-enyl)phenyl]acetamide?
The InChIKey is KVCGBCOWLAOYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-10(17)15-12-8-3-2-6-11(12)7-4-5-9-14-16-13/h2-4,6-8H,5,9H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-azidobut-1-enyl)phenyl]acetamide?
N-[2-(4-azidobut-1-enyl)phenyl]acetamide has a molecular weight of 230.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-azidobut-1-enyl)phenyl]acetamide is sourced from PubChem (CID 170485725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).