N-(3-azidopropyl)-3,4-dimethoxybenzamide

C12H16N4O3 — CID 61344006

IUPACN-(3-azidopropyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCN=[N+]=[N-])cc1OC
InChIInChI=1S/C12H16N4O3/c1-18-10-5-4-9(8-11(10)19-2)12(17)14-6-3-7-15-16-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyVUFMHBFIOWQHMX-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.13
Rot. Bonds7

About N-(3-azidopropyl)-3,4-dimethoxybenzamide

N-(3-azidopropyl)-3,4-dimethoxybenzamide (PubChem CID 61344006) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(3-azidopropyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-3,4-dimethoxybenzamide
PubChem CID61344006
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC NameN-(3-azidopropyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCN=[N+]=[N-])cc1OC
InChIInChI=1S/C12H16N4O3/c1-18-10-5-4-9(8-11(10)19-2)12(17)14-6-3-7-15-16-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyVUFMHBFIOWQHMX-UHFFFAOYSA-N
XLogP2.13
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-azidopropyl)-2-methoxy-5-methylbenzamide
CID 62503381
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-hex-5-ynyl-3,4-dimethoxybenzamide
CID 113256083
N-(4-azidobutyl)-3,4-dihydroxybenzamide
CID 106386706
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide
CID 115354417
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-azidopropyl)-3,4-dimethoxybenzamide (CID 61344006) is N-(3-azidopropyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-azidopropyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-azidopropyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCCN=[N+]=[N-])cc1OC.
What is the InChIKey of N-(3-azidopropyl)-3,4-dimethoxybenzamide?
The InChIKey is VUFMHBFIOWQHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-18-10-5-4-9(8-11(10)19-2)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)-3,4-dimethoxybenzamide?
N-(3-azidopropyl)-3,4-dimethoxybenzamide has a molecular weight of 264.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 61344006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).