2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide

C20H20N4O3 — CID 102303815

IUPAC2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide
SMILES[N-]=[N+]=Nc1ccccc1C(=O)N(CC1CCCCO1)C(=O)c1ccccc1
InChIInChI=1S/C20H20N4O3/c21-23-22-18-12-5-4-11-17(18)20(26)24(14-16-10-6-7-13-27-16)19(25)15-8-2-1-3-9-15/h1-5,8-9,11-12,16H,6-7,10,13-14H2
InChIKeyDWDPODZIJLMBDU-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.48
Rot. Bonds5

About 2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide

2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide (PubChem CID 102303815) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide
PubChem CID102303815
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide
SMILES[N-]=[N+]=Nc1ccccc1C(=O)N(CC1CCCCO1)C(=O)c1ccccc1
InChIInChI=1S/C20H20N4O3/c21-23-22-18-12-5-4-11-17(18)20(26)24(14-16-10-6-7-13-27-16)19(25)15-8-2-1-3-9-15/h1-5,8-9,11-12,16H,6-7,10,13-14H2
InChIKeyDWDPODZIJLMBDU-UHFFFAOYSA-N
XLogP4.48
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
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': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 61436480
[1-(2-azidobenzoyl)cyclopropyl]-phenylmethanone
CID 166437402
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61431968
3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
2-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]benzoic acid
CID 104548757
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993683
2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 115540489
3-methylphthalic acid;2-propyloxane
CID 175171626

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide (CID 102303815) is 2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide is [N-]=[N+]=Nc1ccccc1C(=O)N(CC1CCCCO1)C(=O)c1ccccc1.
What is the InChIKey of 2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is DWDPODZIJLMBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c21-23-22-18-12-5-4-11-17(18)20(26)24(14-16-10-6-7-13-27-16)19(25)15-8-2-1-3-9-15/h1-5,8-9,11-12,16H,6-7,10,13-14H2.
What are the key properties of 2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide?
2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 364.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 102303815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).