N-(3-azidopropyl)-2-methoxy-5-methylbenzamide

C12H16N4O2 — CID 62503381

IUPACN-(3-azidopropyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C12H16N4O2/c1-9-4-5-11(18-2)10(8-9)12(17)14-6-3-7-15-16-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyXDVPLJRCFCCQDB-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.43
Rot. Bonds6

About N-(3-azidopropyl)-2-methoxy-5-methylbenzamide

N-(3-azidopropyl)-2-methoxy-5-methylbenzamide (PubChem CID 62503381) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-methoxy-5-methylbenzamide
PubChem CID62503381
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(3-azidopropyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C12H16N4O2/c1-9-4-5-11(18-2)10(8-9)12(17)14-6-3-7-15-16-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyXDVPLJRCFCCQDB-UHFFFAOYSA-N
XLogP2.43
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.43
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'}

Analyze N-(3-azidopropyl)-2-methoxy-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-azidopropyl)-2,4,5-trimethoxybenzamide
CID 61344554
N-(3-azidopropyl)-3,4-dimethoxybenzamide
CID 61344006
N-(3-azidopropyl)-2-chloro-4-methylbenzamide
CID 106863546
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001
N-(4-azidobutyl)-2-bromo-4-methylbenzamide
CID 106386313
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
2-methoxy-5-methyl-N-(2-sulfamoylethyl)benzamide
CID 61066846
N-(3-azidopropyl)-4-bromo-2-fluorobenzamide
CID 61344699
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(3-azidopropyl)-2-methoxy-5-methylbenzamide (CID 62503381) is N-(3-azidopropyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(3-azidopropyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(3-azidopropyl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NCCCN=[N+]=[N-].
What is the InChIKey of N-(3-azidopropyl)-2-methoxy-5-methylbenzamide?
The InChIKey is XDVPLJRCFCCQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9-4-5-11(18-2)10(8-9)12(17)14-6-3-7-15-16-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,17).
What are the key properties of N-(3-azidopropyl)-2-methoxy-5-methylbenzamide?
N-(3-azidopropyl)-2-methoxy-5-methylbenzamide has a molecular weight of 248.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 62503381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).