N-(2-azido-4-methoxyphenyl)propanamide

C10H12N4O2 — CID 169324955

IUPACN-(2-azido-4-methoxyphenyl)propanamide
SMILESCCC(=O)Nc1ccc(OC)cc1N=[N+]=[N-]
InChIInChI=1S/C10H12N4O2/c1-3-10(15)12-8-5-4-7(16-2)6-9(8)13-14-11/h4-6H,3H2,1-2H3,(H,12,15)
InChIKeyVNTPOPFEEFOREQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.99
Rot. Bonds4

About N-(2-azido-4-methoxyphenyl)propanamide

N-(2-azido-4-methoxyphenyl)propanamide (PubChem CID 169324955) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(2-azido-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-azido-4-methoxyphenyl)propanamide
PubChem CID169324955
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-(2-azido-4-methoxyphenyl)propanamide
SMILESCCC(=O)Nc1ccc(OC)cc1N=[N+]=[N-]
InChIInChI=1S/C10H12N4O2/c1-3-10(15)12-8-5-4-7(16-2)6-9(8)13-14-11/h4-6H,3H2,1-2H3,(H,12,15)
InChIKeyVNTPOPFEEFOREQ-UHFFFAOYSA-N
XLogP2.99
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.99
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

4-methoxy-2-(propanoylamino)benzenesulfonic acid
CID 174562955
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
CID 168516635
N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168602319
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide
CID 102695280
N-(3-azido-2-methylphenyl)-2-methoxyacetamide
CID 169324993
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607

Frequently Asked Questions

What is the IUPAC name of N-(2-azido-4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-azido-4-methoxyphenyl)propanamide (CID 169324955) is N-(2-azido-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-azido-4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-azido-4-methoxyphenyl)propanamide is CCC(=O)Nc1ccc(OC)cc1N=[N+]=[N-].
What is the InChIKey of N-(2-azido-4-methoxyphenyl)propanamide?
The InChIKey is VNTPOPFEEFOREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-3-10(15)12-8-5-4-7(16-2)6-9(8)13-14-11/h4-6H,3H2,1-2H3,(H,12,15).
What are the key properties of N-(2-azido-4-methoxyphenyl)propanamide?
N-(2-azido-4-methoxyphenyl)propanamide has a molecular weight of 220.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azido-4-methoxyphenyl)propanamide is sourced from PubChem (CID 169324955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).