3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide

C14H19N7O2 — CID 167868390

IUPAC3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide
SMILESCCOCC(C)(C)NC(=O)c1cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c1
InChIInChI=1S/C14H19N7O2/c1-4-23-9-14(2,3)18-13(22)11-5-10(8-17-20-15)6-12(7-11)19-21-16/h5-7H,4,8-9H2,1-3H3,(H,18,22)
InChIKeyMQNNAKDMJKZPQM-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.98
Rot. Bonds8

About 3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide

3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide (PubChem CID 167868390) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide
PubChem CID167868390
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide
SMILESCCOCC(C)(C)NC(=O)c1cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c1
InChIInChI=1S/C14H19N7O2/c1-4-23-9-14(2,3)18-13(22)11-5-10(8-17-20-15)6-12(7-11)19-21-16/h5-7H,4,8-9H2,1-3H3,(H,18,22)
InChIKeyMQNNAKDMJKZPQM-UHFFFAOYSA-N
XLogP3.98
TPSA135.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-azido-5-(azidomethyl)-N-[3-(fluoromethyl)cyclobutyl]benzamide
CID 167904923
3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide
CID 167756045
3-azido-5-(azidomethyl)-N-[(1S)-1-pyrazin-2-ylethyl]benzamide
CID 167871877
3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide
CID 167923361
diethyl 5-azidobenzene-1,3-dicarboxylate
CID 21327938
3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide
CID 167754276
5-(azidomethyl)benzene-1,3-dicarbonyl chloride
CID 91250095
methyl 3-(azidomethyl)-5-[methyl(methylsulfonyl)amino]benzoate
CID 86647414
3-azido-5-(azidomethyl)-N-[11-[3-hydroxy-2-(1-hydroxyethyl)-1-methyl-5-oxo-2H-pyrrol-4-yl]-11-oxoundecyl]benzamide
CID 78134011
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037
N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide
CID 118779197
5-[[3-azido-5-(azidomethyl)phenyl]methoxymethyl]-3-methylfuro[2,3-c]pyran-2-one
CID 51003128

Frequently Asked Questions

What is the IUPAC name of 3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide (CID 167868390) is 3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide is CCOCC(C)(C)NC(=O)c1cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c1.
What is the InChIKey of 3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide?
The InChIKey is MQNNAKDMJKZPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-4-23-9-14(2,3)18-13(22)11-5-10(8-17-20-15)6-12(7-11)19-21-16/h5-7H,4,8-9H2,1-3H3,(H,18,22).
What are the key properties of 3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide?
3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide has a molecular weight of 317.35 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 167868390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).