N-(4-azidobutyl)-3,4-dihydroxybenzamide

C11H14N4O3 — CID 106386706

IUPACN-(4-azidobutyl)-3,4-dihydroxybenzamide
SMILES[N-]=[N+]=NCCCCNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H14N4O3/c12-15-14-6-2-1-5-13-11(18)8-3-4-9(16)10(17)7-8/h3-4,7,16-17H,1-2,5-6H2,(H,13,18)
InChIKeyLDPVCFQJFSRZRK-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.92
Rot. Bonds6

About N-(4-azidobutyl)-3,4-dihydroxybenzamide

N-(4-azidobutyl)-3,4-dihydroxybenzamide (PubChem CID 106386706) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(4-azidobutyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-3,4-dihydroxybenzamide
PubChem CID106386706
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-(4-azidobutyl)-3,4-dihydroxybenzamide
SMILES[N-]=[N+]=NCCCCNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H14N4O3/c12-15-14-6-2-1-5-13-11(18)8-3-4-9(16)10(17)7-8/h3-4,7,16-17H,1-2,5-6H2,(H,13,18)
InChIKeyLDPVCFQJFSRZRK-UHFFFAOYSA-N
XLogP1.92
TPSA118.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-azidobutyl)-3,4-difluorobenzamide
CID 106386485
N-(4-azidobutyl)-3-fluorobenzamide
CID 106386699
N-(4-azidobutyl)-4-(trifluoromethyl)benzamide
CID 106386467
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107
N-(4-azidobutyl)-4-nitrobenzamide
CID 114182192
N-(3-azidopropyl)-3,4-dimethoxybenzamide
CID 61344006
N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide
CID 115354417
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
N-(5-amino-5-sulfanylidenepentyl)-3,4-dihydroxybenzamide
CID 107728397
N-(4-azidobutyl)-3-fluoro-5-methylbenzamide
CID 106386517
N-(3-azidopropyl)-1H-indole-6-carboxamide
CID 63748447
10-[(3,4-dihydroxybenzoyl)amino]decyl-triphenylphosphanium bromide
CID 155520813

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(4-azidobutyl)-3,4-dihydroxybenzamide (CID 106386706) is N-(4-azidobutyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(4-azidobutyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(4-azidobutyl)-3,4-dihydroxybenzamide is [N-]=[N+]=NCCCCNC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-(4-azidobutyl)-3,4-dihydroxybenzamide?
The InChIKey is LDPVCFQJFSRZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-15-14-6-2-1-5-13-11(18)8-3-4-9(16)10(17)7-8/h3-4,7,16-17H,1-2,5-6H2,(H,13,18).
What are the key properties of N-(4-azidobutyl)-3,4-dihydroxybenzamide?
N-(4-azidobutyl)-3,4-dihydroxybenzamide has a molecular weight of 250.26 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 106386706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).