N-[4-(2-azidoacetyl)phenyl]propanamide

C11H12N4O2 — CID 98883079

IUPACN-[4-(2-azidoacetyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CN=[N+]=[N-])cc1
InChIInChI=1S/C11H12N4O2/c1-2-11(17)14-9-5-3-8(4-6-9)10(16)7-13-15-12/h3-6H,2,7H2,1H3,(H,14,17)
InChIKeyWZYKRPOZNHUFRZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.53
Rot. Bonds5

About N-[4-(2-azidoacetyl)phenyl]propanamide

N-[4-(2-azidoacetyl)phenyl]propanamide (PubChem CID 98883079) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[4-(2-azidoacetyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-azidoacetyl)phenyl]propanamide
PubChem CID98883079
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[4-(2-azidoacetyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CN=[N+]=[N-])cc1
InChIInChI=1S/C11H12N4O2/c1-2-11(17)14-9-5-3-8(4-6-9)10(16)7-13-15-12/h3-6H,2,7H2,1H3,(H,14,17)
InChIKeyWZYKRPOZNHUFRZ-UHFFFAOYSA-N
XLogP2.53
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-(2-chloroacetyl)phenyl]propanamide
CID 3429836
4-(2-azidoacetyl)benzoic acid
CID 143075130
2-azido-N-(4-propylphenyl)acetamide
CID 61374209
2-azido-1-pyridin-4-ylethanone
CID 98883069
S-methyl 4-(propanoylamino)benzenecarbothioate
CID 142069454
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
(4-propanoylphenyl)carbamic acid
CID 122623771
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-azidoacetyl)phenyl]propanamide?
The IUPAC name of N-[4-(2-azidoacetyl)phenyl]propanamide (CID 98883079) is N-[4-(2-azidoacetyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-azidoacetyl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-azidoacetyl)phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)CN=[N+]=[N-])cc1.
What is the InChIKey of N-[4-(2-azidoacetyl)phenyl]propanamide?
The InChIKey is WZYKRPOZNHUFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-11(17)14-9-5-3-8(4-6-9)10(16)7-13-15-12/h3-6H,2,7H2,1H3,(H,14,17).
What are the key properties of N-[4-(2-azidoacetyl)phenyl]propanamide?
N-[4-(2-azidoacetyl)phenyl]propanamide has a molecular weight of 232.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-azidoacetyl)phenyl]propanamide is sourced from PubChem (CID 98883079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).