12-[(2-azidooxybenzoyl)amino]dodecanoic acid

C19H28N4O4 — CID 70152578

IUPAC12-[(2-azidooxybenzoyl)amino]dodecanoic acid
SMILES[N-]=[N+]=NOc1ccccc1C(=O)NCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H28N4O4/c20-22-23-27-17-13-10-9-12-16(17)19(26)21-15-11-7-5-3-1-2-4-6-8-14-18(24)25/h9-10,12-13H,1-8,11,14-15H2,(H,21,26)(H,24,25)
InChIKeyUOCKZIBNNFJONY-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.01
Rot. Bonds15

About 12-[(2-azidooxybenzoyl)amino]dodecanoic acid

12-[(2-azidooxybenzoyl)amino]dodecanoic acid (PubChem CID 70152578) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 12-[(2-azidooxybenzoyl)amino]dodecanoic acid.

Molecular Properties

Compound Name12-[(2-azidooxybenzoyl)amino]dodecanoic acid
PubChem CID70152578
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name12-[(2-azidooxybenzoyl)amino]dodecanoic acid
SMILES[N-]=[N+]=NOc1ccccc1C(=O)NCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H28N4O4/c20-22-23-27-17-13-10-9-12-16(17)19(26)21-15-11-7-5-3-1-2-4-6-8-14-18(24)25/h9-10,12-13H,1-8,11,14-15H2,(H,21,26)(H,24,25)
InChIKeyUOCKZIBNNFJONY-UHFFFAOYSA-N
XLogP5.01
TPSA124.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.01
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119235201
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid
CID 173066251
4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119170749
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
CID 62031956
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005

Frequently Asked Questions

What is the IUPAC name of 12-[(2-azidooxybenzoyl)amino]dodecanoic acid?
The IUPAC name of 12-[(2-azidooxybenzoyl)amino]dodecanoic acid (CID 70152578) is 12-[(2-azidooxybenzoyl)amino]dodecanoic acid.
What is the SMILES notation for 12-[(2-azidooxybenzoyl)amino]dodecanoic acid?
The canonical SMILES for 12-[(2-azidooxybenzoyl)amino]dodecanoic acid is [N-]=[N+]=NOc1ccccc1C(=O)NCCCCCCCCCCCC(=O)O.
What is the InChIKey of 12-[(2-azidooxybenzoyl)amino]dodecanoic acid?
The InChIKey is UOCKZIBNNFJONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c20-22-23-27-17-13-10-9-12-16(17)19(26)21-15-11-7-5-3-1-2-4-6-8-14-18(24)25/h9-10,12-13H,1-8,11,14-15H2,(H,21,26)(H,24,25).
What are the key properties of 12-[(2-azidooxybenzoyl)amino]dodecanoic acid?
12-[(2-azidooxybenzoyl)amino]dodecanoic acid has a molecular weight of 376.46 g/mol, XLogP of 5.01, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[(2-azidooxybenzoyl)amino]dodecanoic acid is sourced from PubChem (CID 70152578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).